N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide

C16H23NO3 — CID 65119825

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12-7-9-16(19,10-8-12)11-17-15(18)13-3-5-14(20-2)6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyJKXBSNVUDMLIBI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 65119825) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
PubChem CID65119825
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12-7-9-16(19,10-8-12)11-17-15(18)13-3-5-14(20-2)6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyJKXBSNVUDMLIBI-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methoxypyridine-3-carboxamide
CID 65120212
6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 66464153
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 65119013
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
1-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65115912

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide (CID 65119825) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(O)CCC(C)CC2)cc1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is JKXBSNVUDMLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-7-9-16(19,10-8-12)11-17-15(18)13-3-5-14(20-2)6-4-13/h3-6,12,19H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 65119825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).