[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate

C23H20N2O5 — CID 3641947

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O5/c1-29-18-11-7-10-17(14-18)24-21(26)15-30-23(28)19-12-5-6-13-20(19)25-22(27)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCGGVFTBONZCTPW-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.74
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 3641947) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID3641947
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O5/c1-29-18-11-7-10-17(14-18)24-21(26)15-30-23(28)19-12-5-6-13-20(19)25-22(27)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCGGVFTBONZCTPW-UHFFFAOYSA-N
XLogP3.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate (CID 3641947) is [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate is COc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is CGGVFTBONZCTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-29-18-11-7-10-17(14-18)24-21(26)15-30-23(28)19-12-5-6-13-20(19)25-22(27)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 404.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 3641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).