2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide

C24H27N3O2 — CID 53383108

IUPAC2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-2-3-9-16-25-23(28)22(18-14-15-18)27-20-13-8-7-12-19(20)26-21(24(27)29)17-10-5-4-6-11-17/h4-8,10-13,18,22H,2-3,9,14-16H2,1H3,(H,25,28)
InChIKeyYNYROUWNIOXSMB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.32
Rot. Bonds8

About 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide

2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide (PubChem CID 53383108) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
PubChem CID53383108
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-2-3-9-16-25-23(28)22(18-14-15-18)27-20-13-8-7-12-19(20)26-21(24(27)29)17-10-5-4-6-11-17/h4-8,10-13,18,22H,2-3,9,14-16H2,1H3,(H,25,28)
InChIKeyYNYROUWNIOXSMB-UHFFFAOYSA-N
XLogP4.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
CID 53383365
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
CID 177424273
2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
CID 53383147
N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
CID 11751355
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
methyl 4-[1-[1-cyclohexyl-2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695594
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838486
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide (CID 53383108) is 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide is CCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The InChIKey is YNYROUWNIOXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-3-9-16-25-23(28)22(18-14-15-18)27-20-13-8-7-12-19(20)26-21(24(27)29)17-10-5-4-6-11-17/h4-8,10-13,18,22H,2-3,9,14-16H2,1H3,(H,25,28).
What are the key properties of 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide has a molecular weight of 389.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 53383108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).