3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide

C22H26N2O2 — CID 1011123

IUPAC3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C22H26N2O2/c1-15-7-5-9-17(13-15)21(25)23-19-11-3-4-12-20(19)24-22(26)18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m1/s1
InChIKeyFSSKNWFZMYYVQZ-WOJBJXKFSA-N
MW350.46 g/mol
LogP3.77
Rot. Bonds4

About 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide

3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 1011123) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID1011123
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C22H26N2O2/c1-15-7-5-9-17(13-15)21(25)23-19-11-3-4-12-20(19)24-22(26)18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m1/s1
InChIKeyFSSKNWFZMYYVQZ-WOJBJXKFSA-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

Analyze 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide 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

3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122
3-methyl-N-[2-methyl-4-[[(1S,3R)-3-methyl-4-[(3-methylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 170027070
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438667
N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438846
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide (CID 1011123) is 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide is Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is FSSKNWFZMYYVQZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-7-5-9-17(13-15)21(25)23-19-11-3-4-12-20(19)24-22(26)18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26)/t19-,20-/m1/s1.
What are the key properties of 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide?
3-methyl-N-[(1R,2R)-2-[(3-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 3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 1011123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).