2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide

C18H27N3O2 — CID 119684630

IUPAC2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C18H27N3O2/c1-12(2)11-20-18(23)15-8-3-4-9-16(15)21-17(22)13-6-5-7-14(19)10-13/h3-4,8-9,12-14H,5-7,10-11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGLQLBHOBWZUBNW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.53
Rot. Bonds5

About 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide

2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide (PubChem CID 119684630) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
PubChem CID119684630
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C18H27N3O2/c1-12(2)11-20-18(23)15-8-3-4-9-16(15)21-17(22)13-6-5-7-14(19)10-13/h3-4,8-9,12-14H,5-7,10-11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGLQLBHOBWZUBNW-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)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

1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
CID 119773483
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
CID 119711154

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide (CID 119684630) is 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide?
The InChIKey is GLQLBHOBWZUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)11-20-18(23)15-8-3-4-9-16(15)21-17(22)13-6-5-7-14(19)10-13/h3-4,8-9,12-14H,5-7,10-11,19H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide?
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 119684630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).