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

C17H26N2O — CID 106329302

IUPAC2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-17(4,6-2)19-16(20)14-11-12(3)18-15-10-8-7-9-13(14)15/h7-10,12,14,18H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyQKCLLFGREBIAFR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds4

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

2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106329302) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106329302
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-17(4,6-2)19-16(20)14-11-12(3)18-15-10-8-7-9-13(14)15/h7-10,12,14,18H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyQKCLLFGREBIAFR-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 83120583
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 62117471
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43311061
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24695751
N-(1-methoxypropan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24693133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106329302) is 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCC(C)(CC)NC(=O)C1CC(C)Nc2ccccc21.
What is the InChIKey of 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is QKCLLFGREBIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(4,6-2)19-16(20)14-11-12(3)18-15-10-8-7-9-13(14)15/h7-10,12,14,18H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106329302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).