N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

C23H27N3O2 — CID 50768186

IUPACN-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc2nc(C)c(=O)n(CC(=O)NC(C)CCc3ccccc3)c2cc1C
InChIInChI=1S/C23H27N3O2/c1-15-12-20-21(13-16(15)2)26(23(28)18(4)25-20)14-22(27)24-17(3)10-11-19-8-6-5-7-9-19/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,24,27)
InChIKeyBKRUQYXIRZXZPT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.46
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 50768186) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID50768186
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc2nc(C)c(=O)n(CC(=O)NC(C)CCc3ccccc3)c2cc1C
InChIInChI=1S/C23H27N3O2/c1-15-12-20-21(13-16(15)2)26(23(28)18(4)25-20)14-22(27)24-17(3)10-11-19-8-6-5-7-9-19/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,24,27)
InChIKeyBKRUQYXIRZXZPT-UHFFFAOYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide with MolForge

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Related Compounds

N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95185354
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074222
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
methyl (2R)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 11222698
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001145
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869657
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (CID 50768186) is N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is Cc1cc2nc(C)c(=O)n(CC(=O)NC(C)CCc3ccccc3)c2cc1C.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is BKRUQYXIRZXZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-12-20-21(13-16(15)2)26(23(28)18(4)25-20)14-22(27)24-17(3)10-11-19-8-6-5-7-9-19/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,24,27).
What are the key properties of N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 50768186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).