(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Anisoles

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 2.84 ALOGPS
logS -4.5 ALOGPS
Water Solubility 1.17e-02 g/l ALOGPS
logP 2.41 ChemAxon
IUPAC Name (1s,3R,4s,5S,7s)-4-[2-(4-methoxyphenoxy)-2-methylpropanamido]adamantane-1-carboxamide ChemAxon
Traditional IUPAC Name (1s,3R,4s,5S,7s)-4-[2-(4-methoxyphenoxy)-2-methylpropanamido]adamantane-1-carboxamide ChemAxon
Molecular Weight 386.4846 ChemAxon
Monoisotopic Weight 386.220557458 ChemAxon
SMILES [H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O ChemAxon
Molecular Formula C22H30N2O4 ChemAxon
InChI InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14-,15+,18-,22- ChemAxon
InChIKey InChIKey=MNVKIDPRYUGTTG-YINOZDTMSA-N ChemAxon
Polar Surface Area (PSA) 90.65 ChemAxon
Refractivity 104.46 ChemAxon
Polarizability 42.32 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.84 ChemAxon
pKa (strongest basic) 0.8 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Corticosteroid 11-beta-dehydrogenase isozyme 1 : in Human