N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H26N2O — CID 24692970

IUPACN-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2CN1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-20(16-10-4-3-5-11-16)18(21)17-12-14-8-6-7-9-15(14)13-19-17/h6-9,16-17,19H,2-5,10-13H2,1H3
InChIKeyINODIHLHPHNFTA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds3

About N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 24692970) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID24692970
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2CN1)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-20(16-10-4-3-5-11-16)18(21)17-12-14-8-6-7-9-15(14)13-19-17/h6-9,16-17,19H,2-5,10-13H2,1H3
InChIKeyINODIHLHPHNFTA-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
(3R)-N-(2-cyanoethyl)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61157625
cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549688
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43588804
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63691628

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 24692970) is N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCN(C(=O)C1Cc2ccccc2CN1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is INODIHLHPHNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-20(16-10-4-3-5-11-16)18(21)17-12-14-8-6-7-9-15(14)13-19-17/h6-9,16-17,19H,2-5,10-13H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 24692970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).