ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate

C20H24N2O4 — CID 109022233

IUPACethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNCc2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-26-20(24)15-8-10-17(11-9-15)22-19(23)12-13-21-14-16-6-4-5-7-18(16)25-2/h4-11,21H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyLZDRPMAFANNPGJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.99
Rot. Bonds9

About ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate

ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate (PubChem CID 109022233) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
PubChem CID109022233
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNCc2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-26-20(24)15-8-10-17(11-9-15)22-19(23)12-13-21-14-16-6-4-5-7-18(16)25-2/h4-11,21H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyLZDRPMAFANNPGJ-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[3-[(2-methoxyphenyl)methylamino]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

ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
CID 109039451
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164614
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate (CID 109022233) is ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCNCc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate?
The InChIKey is LZDRPMAFANNPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-26-20(24)15-8-10-17(11-9-15)22-19(23)12-13-21-14-16-6-4-5-7-18(16)25-2/h4-11,21H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate?
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate is sourced from PubChem (CID 109022233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).