ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate

C25H23NO4 — CID 18690973

IUPACethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
SMILESCCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H23NO4/c1-2-30-25(29)23(27)22(17-18-11-5-3-6-12-18)26-24(28)21-16-10-9-15-20(21)19-13-7-4-8-14-19/h3-16,22H,2,17H2,1H3,(H,26,28)
InChIKeyJGOVNNDLKBGSNO-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.83
Rot. Bonds8

About ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate

ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate (PubChem CID 18690973) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
PubChem CID18690973
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Nameethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
SMILESCCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H23NO4/c1-2-30-25(29)23(27)22(17-18-11-5-3-6-12-18)26-24(28)21-16-10-9-15-20(21)19-13-7-4-8-14-19/h3-16,22H,2,17H2,1H3,(H,26,28)
InChIKeyJGOVNNDLKBGSNO-UHFFFAOYSA-N
XLogP3.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
ethyl (3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 14393171
ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
CID 67365397
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
(3S)-4-ethoxy-4-oxo-3-[(2-phenylbenzoyl)amino]butane-1-sulfonic acid
CID 87371804
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate
CID 90805913
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate?
The IUPAC name of ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate (CID 18690973) is ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate.
What is the SMILES notation for ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate?
The canonical SMILES for ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate is CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate?
The InChIKey is JGOVNNDLKBGSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-2-30-25(29)23(27)22(17-18-11-5-3-6-12-18)26-24(28)21-16-10-9-15-20(21)19-13-7-4-8-14-19/h3-16,22H,2,17H2,1H3,(H,26,28).
What are the key properties of ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate?
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate has a molecular weight of 401.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate is sourced from PubChem (CID 18690973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).