2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide

C26H36N2O4 — CID 132672126

IUPAC2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H36N2O4/c1-5-17-27-26(30)20(4)28(19-22-11-9-8-10-12-22)25(29)16-14-21-13-15-23(31-6-2)24(18-21)32-7-3/h8-13,15,18,20H,5-7,14,16-17,19H2,1-4H3,(H,27,30)
InChIKeyHWZXJPKAEMNOMD-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.36
Rot. Bonds13

About 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide

2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide (PubChem CID 132672126) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
PubChem CID132672126
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H36N2O4/c1-5-17-27-26(30)20(4)28(19-22-11-9-8-10-12-22)25(29)16-14-21-13-15-23(31-6-2)24(18-21)32-7-3/h8-13,15,18,20H,5-7,14,16-17,19H2,1-4H3,(H,27,30)
InChIKeyHWZXJPKAEMNOMD-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100522007
2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
CID 132681362
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-butylbutanamide
CID 132721966
2-[(4-bromophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132619996
2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132672105
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-methylbutanamide
CID 132667963
(2R)-2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100650886
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675428
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-butan-2-ylbutanamide
CID 132721965
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133201159
(2S)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521859

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide (CID 132672126) is 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The InChIKey is HWZXJPKAEMNOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-5-17-27-26(30)20(4)28(19-22-11-9-8-10-12-22)25(29)16-14-21-13-15-23(31-6-2)24(18-21)32-7-3/h8-13,15,18,20H,5-7,14,16-17,19H2,1-4H3,(H,27,30).
What are the key properties of 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide has a molecular weight of 440.58 g/mol, XLogP of 4.36, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132672126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).