methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate

C24H24N2O4 — CID 155512350

IUPACmethyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-29-23(27)17-25-24(28)21-12-5-6-13-22(21)26-19-10-7-11-20(16-19)30-15-14-18-8-3-2-4-9-18/h2-13,16,26H,14-15,17H2,1H3,(H,25,28)
InChIKeyNHFLUQQYYYQQQP-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.95
Rot. Bonds9

About methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate

methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate (PubChem CID 155512350) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate
PubChem CID155512350
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namemethyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-29-23(27)17-25-24(28)21-12-5-6-13-22(21)26-19-10-7-11-20(16-19)30-15-14-18-8-3-2-4-9-18/h2-13,16,26H,14-15,17H2,1H3,(H,25,28)
InChIKeyNHFLUQQYYYQQQP-UHFFFAOYSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate 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-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate (CID 155512350) is methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate?
The InChIKey is NHFLUQQYYYQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-23(27)17-25-24(28)21-12-5-6-13-22(21)26-19-10-7-11-20(16-19)30-15-14-18-8-3-2-4-9-18/h2-13,16,26H,14-15,17H2,1H3,(H,25,28).
What are the key properties of methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate?
methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate has a molecular weight of 404.47 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(2-phenylethoxy)anilino]benzoyl]amino]acetate is sourced from PubChem (CID 155512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).