N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide

C15H22N2O3 — CID 107726347

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
SMILESCC1CCC(CN)(NC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H22N2O3/c1-10-4-6-15(9-16,7-5-10)17-14(20)12-3-2-11(18)8-13(12)19/h2-3,8,10,18-19H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyZAOVKMHAXLUXHH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide (PubChem CID 107726347) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
PubChem CID107726347
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
SMILESCC1CCC(CN)(NC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H22N2O3/c1-10-4-6-15(9-16,7-5-10)17-14(20)12-3-2-11(18)8-13(12)19/h2-3,8,10,18-19H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyZAOVKMHAXLUXHH-UHFFFAOYSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide (CID 107726347) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide is CC1CCC(CN)(NC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide?
The InChIKey is ZAOVKMHAXLUXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-6-15(9-16,7-5-10)17-14(20)12-3-2-11(18)8-13(12)19/h2-3,8,10,18-19H,4-7,9,16H2,1H3,(H,17,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 107726347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).