N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C17H25N3O — CID 104615058

IUPACN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC1CCC(NC(=O)c2cccc3c2NCCN3)C(C)C1
InChIInChI=1S/C17H25N3O/c1-11-6-7-14(12(2)10-11)20-17(21)13-4-3-5-15-16(13)19-9-8-18-15/h3-5,11-12,14,18-19H,6-10H2,1-2H3,(H,20,21)
InChIKeyHFYGDCDQCMHNJA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615058) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615058
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC1CCC(NC(=O)c2cccc3c2NCCN3)C(C)C1
InChIInChI=1S/C17H25N3O/c1-11-6-7-14(12(2)10-11)20-17(21)13-4-3-5-15-16(13)19-9-8-18-15/h3-5,11-12,14,18-19H,6-10H2,1-2H3,(H,20,21)
InChIKeyHFYGDCDQCMHNJA-UHFFFAOYSA-N
XLogP3.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615050
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615124
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
CID 106686861
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070253
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615058) is N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CC1CCC(NC(=O)c2cccc3c2NCCN3)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is HFYGDCDQCMHNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-6-7-14(12(2)10-11)20-17(21)13-4-3-5-15-16(13)19-9-8-18-15/h3-5,11-12,14,18-19H,6-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).