N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide

C20H21N3O2 — CID 35013689

IUPACN-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)14-23-18-8-5-4-7-17(18)21-13-20(23)25/h4-5,7-13H,2-3,6,14H2,1H3,(H,22,24)
InChIKeyCNAWBJZJZCKUQP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds6

About N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide

N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 35013689) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID35013689
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)14-23-18-8-5-4-7-17(18)21-13-20(23)25/h4-5,7-13H,2-3,6,14H2,1H3,(H,22,24)
InChIKeyCNAWBJZJZCKUQP-UHFFFAOYSA-N
XLogP3.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
butyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 2469455
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-(2-benzylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2469352
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 25480937

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide (CID 35013689) is N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide is CCCCc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is CNAWBJZJZCKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)14-23-18-8-5-4-7-17(18)21-13-20(23)25/h4-5,7-13H,2-3,6,14H2,1H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 35013689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).