[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate

C25H24N2O4 — CID 7265956

IUPAC[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18(19-10-4-2-5-11-19)16-24(29)31-17-23(28)27-22-15-9-8-14-21(22)25(30)26-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyAPJWUVVJYJMUEQ-SFHVURJKSA-N
MW416.48 g/mol
LogP4.61
Rot. Bonds8

About [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate (PubChem CID 7265956) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
PubChem CID7265956
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18(19-10-4-2-5-11-19)16-24(29)31-17-23(28)27-22-15-9-8-14-21(22)25(30)26-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyAPJWUVVJYJMUEQ-SFHVURJKSA-N
XLogP4.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
[2-(2-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7266075
[2-(2-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228228
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 41080941
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265751
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
CID 8020094
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate?
The IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate (CID 7265956) is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate is C[C@@H](CC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate?
The InChIKey is APJWUVVJYJMUEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18(19-10-4-2-5-11-19)16-24(29)31-17-23(28)27-22-15-9-8-14-21(22)25(30)26-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28)/t18-/m0/s1.
What are the key properties of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate?
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate has a molecular weight of 416.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate is sourced from PubChem (CID 7265956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).