N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide

C21H25N3O — CID 24656137

IUPACN-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1
InChIInChI=1S/C21H25N3O/c25-20(19-13-23-17-3-1-2-4-18(17)24-19)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12H2,(H,22,25)
InChIKeyIDAULWBUISMWJU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.97
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide

N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide (PubChem CID 24656137) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
PubChem CID24656137
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1
InChIInChI=1S/C21H25N3O/c25-20(19-13-23-17-3-1-2-4-18(17)24-19)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12H2,(H,22,25)
InChIKeyIDAULWBUISMWJU-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
CID 75403017
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide (CID 24656137) is N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is IDAULWBUISMWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(19-13-23-17-3-1-2-4-18(17)24-19)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12H2,(H,22,25).
What are the key properties of N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide?
N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 24656137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).