N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide

C21H20N4O3 — CID 153484005

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide
SMILESCc1cn(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O3/c1-14-13-25(20(23-14)16-10-6-3-7-11-16)21(28)24-17(18(26)19(22)27)12-15-8-4-2-5-9-15/h2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28)
InChIKeyZVJRXAVZOFXYLX-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.08
Rot. Bonds6

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide (PubChem CID 153484005) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide
PubChem CID153484005
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide
SMILESCc1cn(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O3/c1-14-13-25(20(23-14)16-10-6-3-7-11-16)21(28)24-17(18(26)19(22)27)12-15-8-4-2-5-9-15/h2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28)
InChIKeyZVJRXAVZOFXYLX-UHFFFAOYSA-N
XLogP2.08
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 142317072
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 142753650
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 142753634
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 147683869
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134396739
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 142753522
3-[(3-benzoyl-1-methylpyrazol-4-yl)methylamino]-2-oxo-4-phenylbutanamide
CID 167072965
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide
CID 134396806
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 165387000
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 134397603
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide
CID 134396938

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide (CID 153484005) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide is Cc1cn(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide?
The InChIKey is ZVJRXAVZOFXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-13-25(20(23-14)16-10-6-3-7-11-16)21(28)24-17(18(26)19(22)27)12-15-8-4-2-5-9-15/h2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide is sourced from PubChem (CID 153484005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).