N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide

C20H27NO — CID 98145472

IUPACN-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
SMILESCNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C20H27NO/c1-14-3-5-17(6-4-14)20-10-15-7-16(11-20)9-19(8-15,13-20)12-18(22)21-2/h3-6,15-16H,7-13H2,1-2H3,(H,21,22)/t15-,16-,19?,20?/m0/s1
InChIKeyNROLQNLNCXUXKL-MVYVIFSASA-N
MW297.44 g/mol
LogP3.97
Rot. Bonds3

About N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide

N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide (PubChem CID 98145472) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
PubChem CID98145472
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
SMILESCNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C20H27NO/c1-14-3-5-17(6-4-14)20-10-15-7-16(11-20)9-19(8-15,13-20)12-18(22)21-2/h3-6,15-16H,7-13H2,1-2H3,(H,21,22)/t15-,16-,19?,20?/m0/s1
InChIKeyNROLQNLNCXUXKL-MVYVIFSASA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methylphenyl)-1-adamantyl]-1-pyrrolidin-1-ylethanone
CID 4627883
[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanamine
CID 1377968
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
CID 4160024
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500
[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoro-2-sulfanylacetate
CID 88869779
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
CID 71524758
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 974905
N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 55368467

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide?
The IUPAC name of N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide (CID 98145472) is N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide?
The canonical SMILES for N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide is CNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2.
What is the InChIKey of N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide?
The InChIKey is NROLQNLNCXUXKL-MVYVIFSASA-N. The full InChI is InChI=1S/C20H27NO/c1-14-3-5-17(6-4-14)20-10-15-7-16(11-20)9-19(8-15,13-20)12-18(22)21-2/h3-6,15-16H,7-13H2,1-2H3,(H,21,22)/t15-,16-,19?,20?/m0/s1.
What are the key properties of N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide?
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide is sourced from PubChem (CID 98145472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).