N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide

C21H27NO3 — CID 133201762

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-15-7-9-16(10-8-15)13-21(23)22-18(6-2)17-11-12-19(24-3)20(14-17)25-4/h7-12,14,18H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyHRZNOAHGSPHKLL-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.08
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide (PubChem CID 133201762) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
PubChem CID133201762
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-15-7-9-16(10-8-15)13-21(23)22-18(6-2)17-11-12-19(24-3)20(14-17)25-4/h7-12,14,18H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyHRZNOAHGSPHKLL-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100517764
N-[1-(3,4-dimethoxyphenyl)propyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132659077
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide (CID 133201762) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide?
The InChIKey is HRZNOAHGSPHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-15-7-9-16(10-8-15)13-21(23)22-18(6-2)17-11-12-19(24-3)20(14-17)25-4/h7-12,14,18H,5-6,13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 133201762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).