ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate

C20H22N2O5 — CID 17226184

IUPACethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCNC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-7-4-8-16(12-15)22-18(23)10-11-21-19(24)14-6-5-9-17(13-14)26-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBQZKPYKCNSIWLH-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.63
Rot. Bonds8

About ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate

ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate (PubChem CID 17226184) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
PubChem CID17226184
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCNC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)15-7-4-8-16(12-15)22-18(23)10-11-21-19(24)14-6-5-9-17(13-14)26-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBQZKPYKCNSIWLH-UHFFFAOYSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate 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

3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
ethyl 3-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 19687779
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17226206
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate (CID 17226184) is ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)CCNC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate?
The InChIKey is BQZKPYKCNSIWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-20(25)15-7-4-8-16(12-15)22-18(23)10-11-21-19(24)14-6-5-9-17(13-14)26-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate?
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 17226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).