N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide

C17H25NO2 — CID 65124003

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1C
InChIInChI=1S/C17H25NO2/c1-12-6-5-9-17(20,10-12)11-18-16(19)15-8-4-7-13(2)14(15)3/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,18,19)
InChIKeyHSRSNXURAWRDKP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide (PubChem CID 65124003) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
PubChem CID65124003
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1C
InChIInChI=1S/C17H25NO2/c1-12-6-5-9-17(20,10-12)11-18-16(19)15-8-4-7-13(2)14(15)3/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,18,19)
InChIKeyHSRSNXURAWRDKP-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide 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

3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide (CID 65124003) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1C.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide?
The InChIKey is HSRSNXURAWRDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-6-5-9-17(20,10-12)11-18-16(19)15-8-4-7-13(2)14(15)3/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide has a molecular weight of 275.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 65124003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).