2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide

C22H26N2O2 — CID 979091

IUPAC2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C
InChIInChI=1S/C22H26N2O2/c1-15-9-3-5-11-17(15)21(25)23-19-13-7-8-14-20(19)24-22(26)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m0/s1
InChIKeyQTIFJJFTXBEGFX-PMACEKPBSA-N
MW350.46 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 979091) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID979091
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C
InChIInChI=1S/C22H26N2O2/c1-15-9-3-5-11-17(15)21(25)23-19-13-7-8-14-20(19)24-22(26)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m0/s1
InChIKeyQTIFJJFTXBEGFX-PMACEKPBSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[(1R,2S)-2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]cyclopentyl]-2-methylbenzamide
CID 166373121
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide
CID 132919153
(3S)-1-(cyclohexanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013781
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071254
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013804
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide (CID 979091) is 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide is Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is QTIFJJFTXBEGFX-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-9-3-5-11-17(15)21(25)23-19-13-7-8-14-20(19)24-22(26)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m0/s1.
What are the key properties of 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide?
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 979091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).