3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide

C15H23N3O — CID 112578354

IUPAC3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(N(C)c2c(N)cccc2C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-10-6-8-11(9-7-10)18(2)14-12(15(17)19)4-3-5-13(14)16/h3-5,10-11H,6-9,16H2,1-2H3,(H2,17,19)
InChIKeyVMRKVRWEAHPVNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide

3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide (PubChem CID 112578354) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
PubChem CID112578354
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(N(C)c2c(N)cccc2C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-10-6-8-11(9-7-10)18(2)14-12(15(17)19)4-3-5-13(14)16/h3-5,10-11H,6-9,16H2,1-2H3,(H2,17,19)
InChIKeyVMRKVRWEAHPVNO-UHFFFAOYSA-N
XLogP2.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
3-amino-2-[cyclopropyl(propyl)amino]benzoic acid
CID 112578032
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-[cyclopropyl(ethyl)amino]benzoic acid
CID 112578001
2-[cyclobutyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107108606
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
2-[cyclopentyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107107840
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide (CID 112578354) is 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide is CC1CCC(N(C)c2c(N)cccc2C(N)=O)CC1.
What is the InChIKey of 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The InChIKey is VMRKVRWEAHPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-8-11(9-7-10)18(2)14-12(15(17)19)4-3-5-13(14)16/h3-5,10-11H,6-9,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 112578354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).