N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide

C17H25NO2 — CID 65124144

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1C
InChIInChI=1S/C17H25NO2/c1-12-5-4-8-17(20,10-12)11-18-16(19)15-7-6-13(2)14(3)9-15/h6-7,9,12,20H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeyNHFSPBFNKFKSBB-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide (PubChem CID 65124144) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
PubChem CID65124144
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1C
InChIInChI=1S/C17H25NO2/c1-12-5-4-8-17(20,10-12)11-18-16(19)15-7-6-13(2)14(3)9-15/h6-7,9,12,20H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeyNHFSPBFNKFKSBB-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

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Related Compounds

4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide (CID 65124144) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1C.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide?
The InChIKey is NHFSPBFNKFKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-5-4-8-17(20,10-12)11-18-16(19)15-7-6-13(2)14(3)9-15/h6-7,9,12,20H,4-5,8,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-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]-3,4-dimethylbenzamide is sourced from PubChem (CID 65124144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).