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

C15H23N3O — CID 104828504

IUPACN-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)NCCN2)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-10(15(2,3)4)18-14(19)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,16-17H,7-8H2,1-4H3,(H,18,19)
InChIKeyHXSOMVKQIJSQGR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104828504) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104828504
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)NCCN2)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-10(15(2,3)4)18-14(19)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,16-17H,7-8H2,1-4H3,(H,18,19)
InChIKeyHXSOMVKQIJSQGR-UHFFFAOYSA-N
XLogP2.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
N-[(2S)-3,3-dimethylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 27233135
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 91107211
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457632
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 106293073

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104828504) is N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CC(NC(=O)c1ccc2c(c1)NCCN2)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is HXSOMVKQIJSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(15(2,3)4)18-14(19)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,16-17H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104828504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).