methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate

C20H24N2O5 — CID 2335846

IUPACmethyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-13-19(23)22-16-7-5-4-6-15(16)20(24)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeySSWWCDXHQATPEI-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.26
Rot. Bonds9

About methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate

methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate (PubChem CID 2335846) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate
PubChem CID2335846
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-13-19(23)22-16-7-5-4-6-15(16)20(24)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeySSWWCDXHQATPEI-UHFFFAOYSA-N
XLogP2.26
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate (CID 2335846) is methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNCCc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate?
The InChIKey is SSWWCDXHQATPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-13-19(23)22-16-7-5-4-6-15(16)20(24)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate?
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate has a molecular weight of 372.42 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 2335846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).