2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

C15H23N3O2 — CID 65117541

IUPAC2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9,16-17H2,1H3,(H,18,19)
InChIKeyXASJOODBLAZYFG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds3

About 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (PubChem CID 65117541) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
PubChem CID65117541
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9,16-17H2,1H3,(H,18,19)
InChIKeyXASJOODBLAZYFG-UHFFFAOYSA-N
XLogP1.52
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (CID 65117541) is 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is CC1CCC(O)(CNC(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The InChIKey is XASJOODBLAZYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9,16-17H2,1H3,(H,18,19).
What are the key properties of 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65117541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).