N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C17H26N2O — CID 103461945

IUPACN-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCC(C)(C)CNC(=O)C1Cc2ccccc2NC1C
InChIInChI=1S/C17H26N2O/c1-5-17(3,4)11-18-16(20)14-10-13-8-6-7-9-15(13)19-12(14)2/h6-9,12,14,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyPOZWYEJOGXWILA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.21
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 103461945) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID103461945
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCC(C)(C)CNC(=O)C1Cc2ccccc2NC1C
InChIInChI=1S/C17H26N2O/c1-5-17(3,4)11-18-16(20)14-10-13-8-6-7-9-15(13)19-12(14)2/h6-9,12,14,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyPOZWYEJOGXWILA-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107413528
N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
CID 83015584
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77008814
(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 103461945) is N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is CCC(C)(C)CNC(=O)C1Cc2ccccc2NC1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is POZWYEJOGXWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(3,4)11-18-16(20)14-10-13-8-6-7-9-15(13)19-12(14)2/h6-9,12,14,19H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 103461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).