N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide

C16H23NO3 — CID 106364492

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H23NO3/c1-11-7-8-15(20-2)13(9-11)16(19)17-14-6-4-3-5-12(14)10-18/h7-9,12,14,18H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyUOUXRYCAOODZQU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.28
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide (PubChem CID 106364492) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
PubChem CID106364492
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H23NO3/c1-11-7-8-15(20-2)13(9-11)16(19)17-14-6-4-3-5-12(14)10-18/h7-9,12,14,18H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyUOUXRYCAOODZQU-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide (CID 106364492) is N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide?
The InChIKey is UOUXRYCAOODZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-8-15(20-2)13(9-11)16(19)17-14-6-4-3-5-12(14)10-18/h7-9,12,14,18H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 106364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).