2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide

C21H27NO4 — CID 121112218

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(CCO)c2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-25-19-9-8-16(14-20(19)26-2)15-21(24)22-12-10-18(11-13-23)17-6-4-3-5-7-17/h3-9,14,18,23H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyAPMLVQNOAHMDLK-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.92
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide (PubChem CID 121112218) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
PubChem CID121112218
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(CCO)c2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-25-19-9-8-16(14-20(19)26-2)15-21(24)22-12-10-18(11-13-23)17-6-4-3-5-7-17/h3-9,14,18,23H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyAPMLVQNOAHMDLK-UHFFFAOYSA-N
XLogP2.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112229
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide (CID 121112218) is 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide is COc1ccc(CC(=O)NCCC(CCO)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide?
The InChIKey is APMLVQNOAHMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-25-19-9-8-16(14-20(19)26-2)15-21(24)22-12-10-18(11-13-23)17-6-4-3-5-7-17/h3-9,14,18,23H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide is sourced from PubChem (CID 121112218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).