N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H26N2O — CID 108888580

IUPACN-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C18H26N2O/c21-18(19-12-10-15-6-2-1-3-7-15)20-13-11-16-8-4-5-9-17(16)14-20/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,19,21)
InChIKeyCRXIJNFYMKUQBJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.72
Rot. Bonds3

About N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 108888580) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID108888580
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C18H26N2O/c21-18(19-12-10-15-6-2-1-3-7-15)20-13-11-16-8-4-5-9-17(16)14-20/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,19,21)
InChIKeyCRXIJNFYMKUQBJ-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119349582
2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)ethoxy]acetic acid
CID 79463816
4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838164
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94021427
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60595547
3-(cycloheptylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024411
N-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 119510309
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)ethoxy]acetic acid
CID 79463216
N-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 115616978

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 108888580) is N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCCC1CCCCC1)N1CCc2ccccc2C1.
What is the InChIKey of N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is CRXIJNFYMKUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-12-10-15-6-2-1-3-7-15)20-13-11-16-8-4-5-9-17(16)14-20/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,19,21).
What are the key properties of N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 108888580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).