N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C17H26N2O — CID 63926506

IUPACN-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyCWTCSHYVMDCLFH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.35
Rot. Bonds5

About N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 63926506) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID63926506
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyCWTCSHYVMDCLFH-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 104761979
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61468172
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 63926506) is N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is CC(C)CCC(C)NC(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is CWTCSHYVMDCLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 63926506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).