N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide

C32H29N3O2 — CID 53383118

IUPACN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H29N3O2/c1-22-12-11-13-23(2)29(22)34-31(36)28(21-20-24-14-5-3-6-15-24)35-27-19-10-9-18-26(27)33-30(32(35)37)25-16-7-4-8-17-25/h3-19,28H,20-21H2,1-2H3,(H,34,36)
InChIKeyVWICRAWCCWTLST-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.49
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide

N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide (PubChem CID 53383118) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
PubChem CID53383118
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H29N3O2/c1-22-12-11-13-23(2)29(22)34-31(36)28(21-20-24-14-5-3-6-15-24)35-27-19-10-9-18-26(27)33-30(32(35)37)25-16-7-4-8-17-25/h3-19,28H,20-21H2,1-2H3,(H,34,36)
InChIKeyVWICRAWCCWTLST-UHFFFAOYSA-N
XLogP6.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide (CID 53383118) is N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide is Cc1cccc(C)c1NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The InChIKey is VWICRAWCCWTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-22-12-11-13-23(2)29(22)34-31(36)28(21-20-24-14-5-3-6-15-24)35-27-19-10-9-18-26(27)33-30(32(35)37)25-16-7-4-8-17-25/h3-19,28H,20-21H2,1-2H3,(H,34,36).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide has a molecular weight of 487.60 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide is sourced from PubChem (CID 53383118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).