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

C16H24N2O — CID 65261033

IUPACN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)8-12(3)18-16(19)15-10-17-9-13-6-4-5-7-14(13)15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyDZQKEYQBDKUULP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds4

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

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65261033) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65261033
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)8-12(3)18-16(19)15-10-17-9-13-6-4-5-7-14(13)15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyDZQKEYQBDKUULP-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260418
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 65262532
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)hexanoic acid
CID 65262053
N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113376584
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65261033) is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(C)CC(C)NC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is DZQKEYQBDKUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)8-12(3)18-16(19)15-10-17-9-13-6-4-5-7-14(13)15/h4-7,11-12,15,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65261033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).