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

C18H26N2O — CID 62407046

IUPACN-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2CN1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)17-11-15-9-5-6-10-16(15)12-19-17/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyHZZKNXAVFUBNSH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.79
Rot. Bonds3

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

N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 62407046) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID62407046
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2CN1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)17-11-15-9-5-6-10-16(15)12-19-17/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyHZZKNXAVFUBNSH-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(3S)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667214
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 71895287
(3S)-N-[(2R,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 26909904
3-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61157694
(3S)-N-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44668197
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 62407046) is N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(NC(=O)C1Cc2ccccc2CN1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HZZKNXAVFUBNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)17-11-15-9-5-6-10-16(15)12-19-17/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 62407046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).