N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C17H25N3O — CID 107356260

IUPACN-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCC1CCCC(NC(=O)C2CNc3ccccc3N2)C1
InChIInChI=1S/C17H25N3O/c1-2-12-6-5-7-13(10-12)19-17(21)16-11-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16,18,20H,2,5-7,10-11H2,1H3,(H,19,21)
InChIKeyWJSMKCHYQLVQDZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.98
Rot. Bonds3

About N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356260) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356260
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCC1CCCC(NC(=O)C2CNc3ccccc3N2)C1
InChIInChI=1S/C17H25N3O/c1-2-12-6-5-7-13(10-12)19-17(21)16-11-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16,18,20H,2,5-7,10-11H2,1H3,(H,19,21)
InChIKeyWJSMKCHYQLVQDZ-UHFFFAOYSA-N
XLogP2.98
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61468172
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356351
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356183
N-(3-ethylcyclohexyl)-3-methylpiperidine-4-carboxamide
CID 114278691
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356068
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779729

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356260) is N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CCC1CCCC(NC(=O)C2CNc3ccccc3N2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is WJSMKCHYQLVQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-12-6-5-7-13(10-12)19-17(21)16-11-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,16,18,20H,2,5-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).