2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide

C26H36N2O4 — CID 132672105

IUPAC2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H36N2O4/c1-5-27-26(30)20(4)28(18-17-21-11-9-8-10-12-21)25(29)16-14-22-13-15-23(31-6-2)24(19-22)32-7-3/h8-13,15,19-20H,5-7,14,16-18H2,1-4H3,(H,27,30)
InChIKeyNVSXNWOHYOROBI-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.01
Rot. Bonds13

About 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide

2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide (PubChem CID 132672105) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide
PubChem CID132672105
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H36N2O4/c1-5-27-26(30)20(4)28(18-17-21-11-9-8-10-12-21)25(29)16-14-22-13-15-23(31-6-2)24(19-22)32-7-3/h8-13,15,19-20H,5-7,14,16-18H2,1-4H3,(H,27,30)
InChIKeyNVSXNWOHYOROBI-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
CID 132672126
(2R)-2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514313
2-[(4-bromophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132619996
2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132667950
(2S)-2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100522007
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-butylbutanamide
CID 132721966
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132624075
2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132944007
(2S)-2-[3-(3,4-diethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100653785
2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
CID 132681362

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide (CID 132672105) is 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide?
The InChIKey is NVSXNWOHYOROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-5-27-26(30)20(4)28(18-17-21-11-9-8-10-12-21)25(29)16-14-22-13-15-23(31-6-2)24(19-22)32-7-3/h8-13,15,19-20H,5-7,14,16-18H2,1-4H3,(H,27,30).
What are the key properties of 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide?
2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide has a molecular weight of 440.58 g/mol, XLogP of 4.01, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 132672105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).