methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate

C34H30N2O7 — CID 10281682

IUPACmethyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccc(C(=O)Nc3ccc(/C=C/c4ccc(OC)cc4)cc3C(=O)OC)cc2)cc1
InChIInChI=1S/C34H30N2O7/c1-36(32(38)25-10-12-26(13-11-25)33(39)42-3)27-16-14-24(15-17-27)31(37)35-30-20-9-23(21-29(30)34(40)43-4)6-5-22-7-18-28(41-2)19-8-22/h5-21H,1-4H3,(H,35,37)/b6-5+
InChIKeyFJEZTHJYNWFFKT-AATRIKPKSA-N
MW578.62 g/mol
LogP5.97
Rot. Bonds9

About methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate

methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate (PubChem CID 10281682) has the molecular formula C34H30N2O7 and a molecular weight of 578.62 g/mol. Its IUPAC name is methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate
PubChem CID10281682
Molecular FormulaC34H30N2O7
Molecular Weight578.62 g/mol
Exact Mass578.21
IUPAC Namemethyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccc(C(=O)Nc3ccc(/C=C/c4ccc(OC)cc4)cc3C(=O)OC)cc2)cc1
InChIInChI=1S/C34H30N2O7/c1-36(32(38)25-10-12-26(13-11-25)33(39)42-3)27-16-14-24(15-17-27)31(37)35-30-20-9-23(21-29(30)34(40)43-4)6-5-22-7-18-28(41-2)19-8-22/h5-21H,1-4H3,(H,35,37)/b6-5+
InChIKeyFJEZTHJYNWFFKT-AATRIKPKSA-N
XLogP5.97
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.62
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]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

methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
2-[[4-[(4-carboxybenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(2-fluorophenyl)ethenyl]benzoic acid
CID 10119584
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-methoxy-N-(2-methoxy-4-prop-1-enylphenyl)benzamide
CID 59979422
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701
2-[[4-(N-acetyl-4-carboxyanilino)benzoyl]amino]-5-(2-phenylethenyl)benzoic acid
CID 70119233
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate (CID 10281682) is methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate is COC(=O)c1ccc(C(=O)N(C)c2ccc(C(=O)Nc3ccc(/C=C/c4ccc(OC)cc4)cc3C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate?
The InChIKey is FJEZTHJYNWFFKT-AATRIKPKSA-N. The full InChI is InChI=1S/C34H30N2O7/c1-36(32(38)25-10-12-26(13-11-25)33(39)42-3)27-16-14-24(15-17-27)31(37)35-30-20-9-23(21-29(30)34(40)43-4)6-5-22-7-18-28(41-2)19-8-22/h5-21H,1-4H3,(H,35,37)/b6-5+.
What are the key properties of methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate?
methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate has a molecular weight of 578.62 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-methoxycarbonylbenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 10281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).