N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide

C23H20N2O3 — CID 54553924

IUPACN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
SMILESNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c24-22(27)21(26)20(15-16-9-3-1-4-10-16)25-23(28)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14,20H,15H2,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyZLVIQUHAKCYTKW-FQEVSTJZSA-N
MW372.42 g/mol
LogP2.75
Rot. Bonds7

About N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide (PubChem CID 54553924) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
PubChem CID54553924
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
SMILESNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c24-22(27)21(26)20(15-16-9-3-1-4-10-16)25-23(28)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14,20H,15H2,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyZLVIQUHAKCYTKW-FQEVSTJZSA-N
XLogP2.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide
CID 134396938
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46870403
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 142753522
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide
CID 134396806
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 46870400

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide (CID 54553924) is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide is NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide?
The InChIKey is ZLVIQUHAKCYTKW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20N2O3/c24-22(27)21(26)20(15-16-9-3-1-4-10-16)25-23(28)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14,20H,15H2,(H2,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide?
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 54553924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).