N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide

C16H23NO3 — CID 103798304

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H23NO3/c1-20-15-9-5-3-6-12(15)10-16(19)17-14-8-4-2-7-13(14)11-18/h3,5-6,9,13-14,18H,2,4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyDZSDHHTVLFOTGC-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide

N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 103798304) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
PubChem CID103798304
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H23NO3/c1-20-15-9-5-3-6-12(15)10-16(19)17-14-8-4-2-7-13(14)11-18/h3,5-6,9,13-14,18H,2,4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyDZSDHHTVLFOTGC-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
2-(2-aminophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106358626
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
6-[(2-methoxyphenyl)methylamino]-N-[(1R,2R)-2-[6-[(2-methoxyphenyl)methylamino]hexanoylamino]cyclohexyl]hexanamide
CID 25149358
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide (CID 103798304) is N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is DZSDHHTVLFOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15-9-5-3-6-12(15)10-16(19)17-14-8-4-2-7-13(14)11-18/h3,5-6,9,13-14,18H,2,4,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 1.90, 5 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 103798304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).