N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide

C15H21NO2 — CID 64868051

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyYXAMHFSRSGRZBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide

N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide (PubChem CID 64868051) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
PubChem CID64868051
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyYXAMHFSRSGRZBL-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-hydroxycyclohexyl)methyl]-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

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111459566
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide (CID 64868051) is N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The InChIKey is YXAMHFSRSGRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(17)16-11-15(18)8-3-2-4-9-15/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 64868051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).