3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide

C20H27NO3 — CID 42907591

IUPAC3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)6-7-21-18(22)19-9-14-8-15(10-19)12-20(23,11-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22)
InChIKeyYKTDBIJWVBSDAN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.69
Rot. Bonds5

About 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide

3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide (PubChem CID 42907591) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide
PubChem CID42907591
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)6-7-21-18(22)19-9-14-8-15(10-19)12-20(23,11-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22)
InChIKeyYKTDBIJWVBSDAN-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270327
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204
3-bromo-N-[2-(2-fluorophenyl)ethyl]adamantane-1-carboxamide
CID 102603623
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
1-(4-bromophenyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 33281737
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide (CID 42907591) is 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide is COc1ccccc1CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is YKTDBIJWVBSDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)6-7-21-18(22)19-9-14-8-15(10-19)12-20(23,11-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22).
What are the key properties of 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide?
3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 42907591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).