4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide

C16H25N3O2 — CID 65115543

IUPAC4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H25N3O2/c1-11-5-7-16(21,8-6-11)10-19-14-9-12(17)3-4-13(14)15(20)18-2/h3-4,9,11,19,21H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyVLIDBHJIYSZYJJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide

4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide (PubChem CID 65115543) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
PubChem CID65115543
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H25N3O2/c1-11-5-7-16(21,8-6-11)10-19-14-9-12(17)3-4-13(14)15(20)18-2/h3-4,9,11,19,21H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyVLIDBHJIYSZYJJ-UHFFFAOYSA-N
XLogP1.98
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide 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

2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
CID 65115401
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
CID 106140800
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide (CID 65115543) is 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1NCC1(O)CCC(C)CC1.
What is the InChIKey of 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide?
The InChIKey is VLIDBHJIYSZYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-5-7-16(21,8-6-11)10-19-14-9-12(17)3-4-13(14)15(20)18-2/h3-4,9,11,19,21H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide?
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 65115543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).