N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H26N2O2 — CID 106148133

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-17(2,8-5-9-20)12-19-16(21)15-11-18-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,18,20H,5,8-12H2,1-2H3,(H,19,21)
InChIKeyVBVVBRYSIOZGJK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.79
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 106148133) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID106148133
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-17(2,8-5-9-20)12-19-16(21)15-11-18-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,18,20H,5,8-12H2,1-2H3,(H,19,21)
InChIKeyVBVVBRYSIOZGJK-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
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-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 106148133) is N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(C)(CCCO)CNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is VBVVBRYSIOZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,8-5-9-20)12-19-16(21)15-11-18-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,18,20H,5,8-12H2,1-2H3,(H,19,21).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 106148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).