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

C21H27NO4 — CID 132653917

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-5-15-7-10-17(11-8-15)26-14-21(23)22-18(6-2)16-9-12-19(24-3)20(13-16)25-4/h7-13,18H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyGEXGGOSBYWZVIU-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.91
Rot. Bonds9

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

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 132653917) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
PubChem CID132653917
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-5-15-7-10-17(11-8-15)26-14-21(23)22-18(6-2)16-9-12-19(24-3)20(13-16)25-4/h7-13,18H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyGEXGGOSBYWZVIU-UHFFFAOYSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
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
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
3-[[2-(4-cyanophenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 45432859
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide (CID 132653917) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NC(CC)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is GEXGGOSBYWZVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-15-7-10-17(11-8-15)26-14-21(23)22-18(6-2)16-9-12-19(24-3)20(13-16)25-4/h7-13,18H,5-6,14H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 132653917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).