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

C17H24N2O2 — CID 106361368

IUPACN-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1CCCCC1CO)C1NCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-14-7-3-1-5-12(14)9-10-18-16/h1,3,5,7,13,15-16,18,20H,2,4,6,8-11H2,(H,19,21)
InChIKeyMSZJFYYQVBXSQR-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.54
Rot. Bonds3

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

N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 106361368) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID106361368
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1CCCCC1CO)C1NCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-14-7-3-1-5-12(14)9-10-18-16/h1,3,5,7,13,15-16,18,20H,2,4,6,8-11H2,(H,19,21)
InChIKeyMSZJFYYQVBXSQR-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 63924125
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103308291
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 107217931
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 106361368) is N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NC1CCCCC1CO)C1NCCc2ccccc21.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is MSZJFYYQVBXSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-14-7-3-1-5-12(14)9-10-18-16/h1,3,5,7,13,15-16,18,20H,2,4,6,8-11H2,(H,19,21).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 106361368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).