N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide

C16H23NO3 — CID 64866121

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-20-14-7-5-6-13(10-14)11-15(18)17-12-16(19)8-3-2-4-9-16/h5-7,10,19H,2-4,8-9,11-12H2,1H3,(H,17,18)
InChIKeyXYQWSARYZKTXAW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 64866121) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID64866121
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-20-14-7-5-6-13(10-14)11-15(18)17-12-16(19)8-3-2-4-9-16/h5-7,10,19H,2-4,8-9,11-12H2,1H3,(H,17,18)
InChIKeyXYQWSARYZKTXAW-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide (CID 64866121) is N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is XYQWSARYZKTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-14-7-5-6-13(10-14)11-15(18)17-12-16(19)8-3-2-4-9-16/h5-7,10,19H,2-4,8-9,11-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 64866121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).