N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H24N2O2 — CID 106292129

IUPACN-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H24N2O2/c1-3-7-16(2,20)11-18-15(19)13-5-4-12-6-8-17-10-14(12)9-13/h4-5,9,17,20H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyCLTLURKCGXVDRA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.61
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 106292129) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID106292129
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H24N2O2/c1-3-7-16(2,20)11-18-15(19)13-5-4-12-6-8-17-10-14(12)9-13/h4-5,9,17,20H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyCLTLURKCGXVDRA-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
2-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-ethylbutanoic acid
CID 103999277

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 106292129) is N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CCCC(C)(O)CNC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is CLTLURKCGXVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-7-16(2,20)11-18-15(19)13-5-4-12-6-8-17-10-14(12)9-13/h4-5,9,17,20H,3,6-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 106292129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).