2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

C27H25N3O2 — CID 53383122

IUPAC2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H25N3O2/c1-17-9-8-10-18(2)23(17)29-26(31)25(20-15-16-20)30-22-14-7-6-13-21(22)28-24(27(30)32)19-11-4-3-5-12-19/h3-14,20,25H,15-16H2,1-2H3,(H,29,31)
InChIKeyMMHVQCXKVFNTGZ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.27
Rot. Bonds5

About 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (PubChem CID 53383122) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
PubChem CID53383122
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H25N3O2/c1-17-9-8-10-18(2)23(17)29-26(31)25(20-15-16-20)30-22-14-7-6-13-21(22)28-24(27(30)32)19-11-4-3-5-12-19/h3-14,20,25H,15-16H2,1-2H3,(H,29,31)
InChIKeyMMHVQCXKVFNTGZ-UHFFFAOYSA-N
XLogP5.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The IUPAC name of 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (CID 53383122) is 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The canonical SMILES for 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is Cc1cccc(C)c1NC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The InChIKey is MMHVQCXKVFNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-9-8-10-18(2)23(17)29-26(31)25(20-15-16-20)30-22-14-7-6-13-21(22)28-24(27(30)32)19-11-4-3-5-12-19/h3-14,20,25H,15-16H2,1-2H3,(H,29,31).
What are the key properties of 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is sourced from PubChem (CID 53383122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).