4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide

C15H23N3O — CID 63993880

IUPAC4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2cc(C(N)=O)ccc2N)C(C)C1
InChIInChI=1S/C15H23N3O/c1-9-3-6-13(10(2)7-9)18-14-8-11(15(17)19)4-5-12(14)16/h4-5,8-10,13,18H,3,6-7,16H2,1-2H3,(H2,17,19)
InChIKeyNFCHMASTUDBBQG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds3

About 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide

4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide (PubChem CID 63993880) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
PubChem CID63993880
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2cc(C(N)=O)ccc2N)C(C)C1
InChIInChI=1S/C15H23N3O/c1-9-3-6-13(10(2)7-9)18-14-8-11(15(17)19)4-5-12(14)16/h4-5,8-10,13,18H,3,6-7,16H2,1-2H3,(H2,17,19)
InChIKeyNFCHMASTUDBBQG-UHFFFAOYSA-N
XLogP2.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(2,4-dimethylcyclohexyl)amino]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

4-amino-3-(cyclopropylamino)benzamide
CID 63355783
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
CID 63998408
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 113444213
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
CID 63356653
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954
4-[(2,4-dimethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63997975
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
CID 63995449
3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070
2-bromo-1-N-(2,4-dimethylcyclohexyl)benzene-1,4-diamine
CID 63996256
4-N-(2,4-dimethylcyclohexyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 63994663

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide?
The IUPAC name of 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide (CID 63993880) is 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide is CC1CCC(Nc2cc(C(N)=O)ccc2N)C(C)C1.
What is the InChIKey of 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide?
The InChIKey is NFCHMASTUDBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-3-6-13(10(2)7-9)18-14-8-11(15(17)19)4-5-12(14)16/h4-5,8-10,13,18H,3,6-7,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide?
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 63993880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).