N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide

C28H29N3O2 — CID 53383134

IUPACN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H29N3O2/c1-28(2,3)30-26(32)24(19-18-20-12-6-4-7-13-20)31-23-17-11-10-16-22(23)29-25(27(31)33)21-14-8-5-9-15-21/h4-17,24H,18-19H2,1-3H3,(H,30,32)
InChIKeyLGXHADYIDLQVFC-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.15
Rot. Bonds6

About N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide

N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide (PubChem CID 53383134) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
PubChem CID53383134
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H29N3O2/c1-28(2,3)30-26(32)24(19-18-20-12-6-4-7-13-20)31-23-17-11-10-16-22(23)29-25(27(31)33)21-14-8-5-9-15-21/h4-17,24H,18-19H2,1-3H3,(H,30,32)
InChIKeyLGXHADYIDLQVFC-UHFFFAOYSA-N
XLogP5.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The IUPAC name of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide (CID 53383134) is N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The canonical SMILES for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide is CC(C)(C)NC(=O)C(CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
The InChIKey is LGXHADYIDLQVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-28(2,3)30-26(32)24(19-18-20-12-6-4-7-13-20)31-23-17-11-10-16-22(23)29-25(27(31)33)21-14-8-5-9-15-21/h4-17,24H,18-19H2,1-3H3,(H,30,32).
What are the key properties of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide?
N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide has a molecular weight of 439.56 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-4-phenylbutanamide is sourced from PubChem (CID 53383134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).