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

C23H20N2O4 — CID 3493766

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c1-16-8-7-11-18(14-16)24-21(26)15-29-23(28)19-12-5-6-13-20(19)25-22(27)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyUCFOAUQKIOXPDR-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.04
Rot. Bonds6

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

[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 3493766) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID3493766
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c1-16-8-7-11-18(14-16)24-21(26)15-29-23(28)19-12-5-6-13-20(19)25-22(27)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyUCFOAUQKIOXPDR-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2415194
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate (CID 3493766) is [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate is Cc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is UCFOAUQKIOXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16-8-7-11-18(14-16)24-21(26)15-29-23(28)19-12-5-6-13-20(19)25-22(27)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate?
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 3493766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).