methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

C24H23N3O4 — CID 54817135

IUPACmethyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-24(30)18-10-12-20(13-11-18)25-16-22(28)27-21-9-5-8-19(14-21)23(29)26-15-17-6-3-2-4-7-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyQTNIFBPKXGOOAS-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.45
Rot. Bonds8

About methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (PubChem CID 54817135) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
PubChem CID54817135
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Namemethyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-24(30)18-10-12-20(13-11-18)25-16-22(28)27-21-9-5-8-19(14-21)23(29)26-15-17-6-3-2-4-7-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyQTNIFBPKXGOOAS-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 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (CID 54817135) is methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is QTNIFBPKXGOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-31-24(30)18-10-12-20(13-11-18)25-16-22(28)27-21-9-5-8-19(14-21)23(29)26-15-17-6-3-2-4-7-17/h2-14,25H,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
methyl 4-[[2-[3-(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 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54817135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).