3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide

C21H25N3O2 — CID 119284412

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-24(18-11-4-2-5-12-18)19(25)16-9-8-10-17(15-16)23-20(26)21(22)13-6-3-7-14-21/h2,4-5,8-12,15H,3,6-7,13-14,22H2,1H3,(H,23,26)
InChIKeyLKWIMSTUSDODIA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.56
Rot. Bonds4

About 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide

3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide (PubChem CID 119284412) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
PubChem CID119284412
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-24(18-11-4-2-5-12-18)19(25)16-9-8-10-17(15-16)23-20(26)21(22)13-6-3-7-14-21/h2,4-5,8-12,15H,3,6-7,13-14,22H2,1H3,(H,23,26)
InChIKeyLKWIMSTUSDODIA-UHFFFAOYSA-N
XLogP3.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155
4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119714272
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
trans-(1R,3R)-2,2-dimethyl-3-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391491
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide (CID 119284412) is 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1)c1ccccc1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide?
The InChIKey is LKWIMSTUSDODIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24(18-11-4-2-5-12-18)19(25)16-9-8-10-17(15-16)23-20(26)21(22)13-6-3-7-14-21/h2,4-5,8-12,15H,3,6-7,13-14,22H2,1H3,(H,23,26).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide?
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 119284412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).