4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide

C15H21N3O2 — CID 43706651

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-10-9-11(13(16)19)5-6-12(10)18-14(20)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyCYJFVOBJVVCLFY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.69
Rot. Bonds3

About 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide

4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide (PubChem CID 43706651) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
PubChem CID43706651
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-10-9-11(13(16)19)5-6-12(10)18-14(20)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyCYJFVOBJVVCLFY-UHFFFAOYSA-N
XLogP1.69
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide (CID 43706651) is 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)C1(N)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide?
The InChIKey is CYJFVOBJVVCLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-11(13(16)19)5-6-12(10)18-14(20)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide?
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide is sourced from PubChem (CID 43706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).