N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H24N2O — CID 110750027

IUPACN-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1Cc2ccccc2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13-11-14-7-5-6-8-15(14)12-19(13)17(20)18-16-9-3-2-4-10-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyJTMQNMBWKMCKTC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.48
Rot. Bonds1

About N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110750027) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110750027
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1Cc2ccccc2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13-11-14-7-5-6-8-15(14)12-19(13)17(20)18-16-9-3-2-4-10-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyJTMQNMBWKMCKTC-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclobutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62416386
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
(4R)-N-cyclopentyl-4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747729
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200030
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
benzyl (3R)-3-(cyclooctylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 126009936
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110750027) is N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC1Cc2ccccc2CN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JTMQNMBWKMCKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-11-14-7-5-6-8-15(14)12-19(13)17(20)18-16-9-3-2-4-10-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110750027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).