4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide

C15H21N3O2 — CID 64551233

IUPAC4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-3-2-8-15(17,9-10)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,10H,2-3,8-9,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyMKHFWLPXNUDBSI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.63
Rot. Bonds3

About 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide (PubChem CID 64551233) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
PubChem CID64551233
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-3-2-8-15(17,9-10)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,10H,2-3,8-9,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyMKHFWLPXNUDBSI-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
CID 64552972
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
CID 80588190
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide?
The IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide (CID 64551233) is 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide.
What is the SMILES notation for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide?
The canonical SMILES for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide is CC1CCCC(N)(C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide?
The InChIKey is MKHFWLPXNUDBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-3-2-8-15(17,9-10)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,10H,2-3,8-9,17H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide?
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide is sourced from PubChem (CID 64551233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).