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

C15H21NO — CID 848103

IUPAC3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C15H21NO/c1-11-6-5-8-13(10-11)15(17)16-14-9-4-3-7-12(14)2/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,16,17)/t12-,14-/m0/s1
InChIKeyIWDUSYOWKCLIHJ-JSGCOSHPSA-N
MW231.34 g/mol
LogP3.30
Rot. Bonds2

About 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide

3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide (PubChem CID 848103) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
PubChem CID848103
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C15H21NO/c1-11-6-5-8-13(10-11)15(17)16-14-9-4-3-7-12(14)2/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,16,17)/t12-,14-/m0/s1
InChIKeyIWDUSYOWKCLIHJ-JSGCOSHPSA-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

3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-(2-hydroxypropan-2-yl)-N-(2-methylcyclohexyl)benzamide
CID 110486141
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-[2-methyl-4-[[(1S,3R)-3-methyl-4-[(3-methylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 170027070
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 2562901
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide (CID 848103) is 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide is Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1.
What is the InChIKey of 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is IWDUSYOWKCLIHJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-5-8-13(10-11)15(17)16-14-9-4-3-7-12(14)2/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,16,17)/t12-,14-/m0/s1.
What are the key properties of 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
3-methyl-N-[(1S,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 3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).