4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide

C20H24N2O4 — CID 108743920

IUPAC4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
SMILESCCOc1ccc(CCC(=O)NCc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-3-26-17-10-6-14(12-18(17)25-2)7-11-19(23)22-13-15-4-8-16(9-5-15)20(21)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyQABTYEOPQONXEL-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.44
Rot. Bonds9

About 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide

4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide (PubChem CID 108743920) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
PubChem CID108743920
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
SMILESCCOc1ccc(CCC(=O)NCc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-3-26-17-10-6-14(12-18(17)25-2)7-11-19(23)22-13-15-4-8-16(9-5-15)20(21)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyQABTYEOPQONXEL-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332
tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide?
The IUPAC name of 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide (CID 108743920) is 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide.
What is the SMILES notation for 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide?
The canonical SMILES for 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide is CCOc1ccc(CCC(=O)NCc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide?
The InChIKey is QABTYEOPQONXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-26-17-10-6-14(12-18(17)25-2)7-11-19(23)22-13-15-4-8-16(9-5-15)20(21)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide?
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 108743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).