2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide

C20H24N2O4 — CID 30395458

IUPAC2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1OCC
InChIInChI=1S/C20H24N2O4/c1-3-25-17-11-9-14(13-18(17)26-4-2)10-12-19(23)22-16-8-6-5-7-15(16)20(21)24/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyIEMZOAGXHPQUJK-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.15
Rot. Bonds9

About 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide

2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide (PubChem CID 30395458) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
PubChem CID30395458
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1OCC
InChIInChI=1S/C20H24N2O4/c1-3-25-17-11-9-14(13-18(17)26-4-2)10-12-19(23)22-16-8-6-5-7-15(16)20(21)24/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyIEMZOAGXHPQUJK-UHFFFAOYSA-N
XLogP3.15
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 99958293
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859
ethyl 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71823049
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide (CID 30395458) is 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide is CCOc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1OCC.
What is the InChIKey of 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide?
The InChIKey is IEMZOAGXHPQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-17-11-9-14(13-18(17)26-4-2)10-12-19(23)22-16-8-6-5-7-15(16)20(21)24/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide?
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 30395458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).