2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide

C15H21NO — CID 804412

IUPAC2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO/c1-11-7-3-5-9-13(11)15(17)16-14-10-6-4-8-12(14)2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,16,17)/t12-,14+/m0/s1
InChIKeyNFPWJMSVIZIPLV-GXTWGEPZSA-N
MW231.34 g/mol
LogP3.30
Rot. Bonds2

About 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide

2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide (PubChem CID 804412) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
PubChem CID804412
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO/c1-11-7-3-5-9-13(11)15(17)16-14-10-6-4-8-12(14)2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,16,17)/t12-,14+/m0/s1
InChIKeyNFPWJMSVIZIPLV-GXTWGEPZSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
2-methyl-N-[6-[(2-methylcyclohexyl)amino]-3-pyridinyl]benzamide
CID 18419470
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-methylbenzoate
CID 11923253
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide (CID 804412) is 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide is Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is NFPWJMSVIZIPLV-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-7-3-5-9-13(11)15(17)16-14-10-6-4-8-12(14)2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide has a molecular weight of 231.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 804412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).