3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid

C20H22N2O5 — CID 120535479

IUPAC3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-2-27-17-8-6-15(7-9-17)19(24)22-13-18(23)21-11-10-14-4-3-5-16(12-14)20(25)26/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCHVSIMXRYQPZJZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.87
Rot. Bonds9

About 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid

3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid (PubChem CID 120535479) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
PubChem CID120535479
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-2-27-17-8-6-15(7-9-17)19(24)22-13-18(23)21-11-10-14-4-3-5-16(12-14)20(25)26/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCHVSIMXRYQPZJZ-UHFFFAOYSA-N
XLogP1.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid 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-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60552806
N-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60547662
3-[2-[(2-ethoxyacetyl)amino]ethyl]benzoic acid
CID 63795816
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid (CID 120535479) is 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid is CCOc1ccc(C(=O)NCC(=O)NCCc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid?
The InChIKey is CHVSIMXRYQPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-27-17-8-6-15(7-9-17)19(24)22-13-18(23)21-11-10-14-4-3-5-16(12-14)20(25)26/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid?
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 120535479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).