N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C17H27N3O — CID 104614845

IUPACN-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C17H27N3O/c1-16(2,3)11-17(4,5)20-15(21)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10,18-19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyYZNDFHJDUPYFFL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614845) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614845
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C17H27N3O/c1-16(2,3)11-17(4,5)20-15(21)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10,18-19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyYZNDFHJDUPYFFL-UHFFFAOYSA-N
XLogP3.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17257385
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614845) is N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is YZNDFHJDUPYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-16(2,3)11-17(4,5)20-15(21)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10,18-19H,8-9,11H2,1-5H3,(H,20,21).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).