2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C18H28N2O — CID 112770347

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNC2CCCC(C)C2C)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-16(10-8-13)11-20-18(21)12-19-17-6-4-5-14(2)15(17)3/h7-10,14-15,17,19H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyKEDYSWKTVNLNNO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds5

About 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 112770347) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID112770347
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNC2CCCC(C)C2C)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-16(10-8-13)11-20-18(21)12-19-17-6-4-5-14(2)15(17)3/h7-10,14-15,17,19H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyKEDYSWKTVNLNNO-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112805176
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
N-benzyl-2-[(2,6-dimethylcyclohexyl)amino]acetamide
CID 60972200
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
3-[[(2,3-dimethylcyclohexyl)amino]methyl]-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 53207169
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 112770347) is 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNC2CCCC(C)C2C)cc1.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KEDYSWKTVNLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-9-16(10-8-13)11-20-18(21)12-19-17-6-4-5-14(2)15(17)3/h7-10,14-15,17,19H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112770347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).