methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

C24H23N3O4 — CID 47013640

IUPACmethyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H23N3O4/c1-31-24(30)18-10-7-11-19(14-18)25-16-22(28)27-21-13-6-5-12-20(21)23(29)26-15-17-8-3-2-4-9-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyPAOGUXUMOUHSQC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.45
Rot. Bonds8

About methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (PubChem CID 47013640) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
PubChem CID47013640
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Namemethyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H23N3O4/c1-31-24(30)18-10-7-11-19(14-18)25-16-22(28)27-21-13-6-5-12-20(21)23(29)26-15-17-8-3-2-4-9-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyPAOGUXUMOUHSQC-UHFFFAOYSA-N
XLogP3.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843216
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119679544
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (CID 47013640) is methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is PAOGUXUMOUHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-31-24(30)18-10-7-11-19(14-18)25-16-22(28)27-21-13-6-5-12-20(21)23(29)26-15-17-8-3-2-4-9-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate has a molecular weight of 417.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 47013640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).