4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide

C16H24N2O2 — CID 81413360

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(15(17)20)5-6-14(12)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H2,17,20)
InChIKeyLNRMKEYIRSRZSY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide (PubChem CID 81413360) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
PubChem CID81413360
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(15(17)20)5-6-14(12)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H2,17,20)
InChIKeyLNRMKEYIRSRZSY-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-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

[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
CID 81399768
3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103968375
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5-methylbenzonitrile
CID 107927763
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide (CID 81413360) is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NCC1(CO)CCCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide?
The InChIKey is LNRMKEYIRSRZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(15(17)20)5-6-14(12)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H2,17,20).
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide?
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide is sourced from PubChem (CID 81413360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).