2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide

C25H34N2O4 — CID 132667950

IUPAC2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H34N2O4/c1-5-21(25(29)26-6-2)27(17-16-19-10-8-7-9-11-19)24(28)15-13-20-12-14-22(30-3)23(18-20)31-4/h7-12,14,18,21H,5-6,13,15-17H2,1-4H3,(H,26,29)
InChIKeyQVHQPPMRRYBCTB-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.62
Rot. Bonds12

About 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide

2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide (PubChem CID 132667950) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
PubChem CID132667950
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H34N2O4/c1-5-21(25(29)26-6-2)27(17-16-19-10-8-7-9-11-19)24(28)15-13-20-12-14-22(30-3)23(18-20)31-4/h7-12,14,18,21H,5-6,13,15-17H2,1-4H3,(H,26,29)
InChIKeyQVHQPPMRRYBCTB-UHFFFAOYSA-N
XLogP3.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide
CID 132664131
N-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]butanamide
CID 132718142
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132667959
(2R)-2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514313
2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132672105
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
(2R)-2-[benzyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 100527518
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132672115
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132694771

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide (CID 132667950) is 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide?
The InChIKey is QVHQPPMRRYBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-5-21(25(29)26-6-2)27(17-16-19-10-8-7-9-11-19)24(28)15-13-20-12-14-22(30-3)23(18-20)31-4/h7-12,14,18,21H,5-6,13,15-17H2,1-4H3,(H,26,29).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide?
2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide has a molecular weight of 426.56 g/mol, XLogP of 3.62, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 132667950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).