N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H26N2O — CID 43185707

IUPACN-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1CCCC(NC(=O)C2Cc3ccccc3CN2)C1C
InChIInChI=1S/C18H26N2O/c1-12-6-5-9-16(13(12)2)20-18(21)17-10-14-7-3-4-8-15(14)11-19-17/h3-4,7-8,12-13,16-17,19H,5-6,9-11H2,1-2H3,(H,20,21)
InChIKeyOQSDVXRHPRKRBU-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.64
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43185707) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43185707
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1CCCC(NC(=O)C2Cc3ccccc3CN2)C1C
InChIInChI=1S/C18H26N2O/c1-12-6-5-9-16(13(12)2)20-18(21)17-10-14-7-3-4-8-15(14)11-19-17/h3-4,7-8,12-13,16-17,19H,5-6,9-11H2,1-2H3,(H,20,21)
InChIKeyOQSDVXRHPRKRBU-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64907413
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
(3S)-N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896608
(3R)-N-(2-cyanocyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62963639
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82729225
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
(3S)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106255764
N-(2-propylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119342973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43185707) is N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC1CCCC(NC(=O)C2Cc3ccccc3CN2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is OQSDVXRHPRKRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-5-9-16(13(12)2)20-18(21)17-10-14-7-3-4-8-15(14)11-19-17/h3-4,7-8,12-13,16-17,19H,5-6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43185707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).