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

C18H28N2O — CID 102905910

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCNc2ccccc21)C(C)C
InChIInChI=1S/C18H28N2O/c1-12(2)16(13(3)4)11-20-18(21)15-9-10-19-17-8-6-5-7-14(15)17/h5-8,12-13,15-16,19H,9-11H2,1-4H3,(H,20,21)
InChIKeyXREAINXXPNYBRA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.63
Rot. Bonds5

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

N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 102905910) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID102905910
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCNc2ccccc21)C(C)C
InChIInChI=1S/C18H28N2O/c1-12(2)16(13(3)4)11-20-18(21)15-9-10-19-17-8-6-5-7-14(15)17/h5-8,12-13,15-16,19H,9-11H2,1-4H3,(H,20,21)
InChIKeyXREAINXXPNYBRA-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047714
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
CID 102913688
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydroquinoline-4-carbonylamino)butanoic acid
CID 104909225
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 102905910) is N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC(C)C(CNC(=O)C1CCNc2ccccc21)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is XREAINXXPNYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)16(13(3)4)11-20-18(21)15-9-10-19-17-8-6-5-7-14(15)17/h5-8,12-13,15-16,19H,9-11H2,1-4H3,(H,20,21).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 102905910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).