N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H24N2O — CID 103461461

IUPACN-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)11-18-15(19)14-10-17-9-12-7-5-6-8-13(12)14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyBYNNEUGWOLITAZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.43
Rot. Bonds4

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

N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 103461461) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID103461461
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)11-18-15(19)14-10-17-9-12-7-5-6-8-13(12)14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyBYNNEUGWOLITAZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroisoquinolin-1(2H)-one
CID 150896
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
CID 28576
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771
1'-(cis-4-Isopropylcyclohexyl)-1,2-dihydro-3H-spiro[isoquinoline-4,4'-piperidin]-3-one
CID 24776407
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one
CID 11286623
7-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one
CID 15507355
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5m
CID 24776398
Piperidine Derivative, 6f
CID 24776408
Piperidine Derivative, 6g
CID 24776409

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 103461461) is N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CCC(C)(C)CNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is BYNNEUGWOLITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(2,3)11-18-15(19)14-10-17-9-12-7-5-6-8-13(12)14/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.43, 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)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 103461461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).