N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H24N2O2 — CID 104558513

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O2/c20-12-17(8-2-1-3-9-17)19-16(21)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18,20H,1-3,7-12H2,(H,19,21)
InChIKeyJXEUOKOYXYFNPT-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558513) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558513
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O2/c20-12-17(8-2-1-3-9-17)19-16(21)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18,20H,1-3,7-12H2,(H,19,21)
InChIKeyJXEUOKOYXYFNPT-UHFFFAOYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)cyclobutyl]acetic acid
CID 104558779
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558513) is N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(NC1(CO)CCCCC1)c1cccc2c1CCNC2.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is JXEUOKOYXYFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-12-17(8-2-1-3-9-17)19-16(21)15-6-4-5-13-11-18-10-7-14(13)15/h4-6,18,20H,1-3,7-12H2,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).