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

C16H22N2O — CID 828546

IUPACN-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h4-7,15H,1-3,8-12H2,(H,17,19)
InChIKeyBHCJUXURLMONIN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds1

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

N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 828546) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID828546
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h4-7,15H,1-3,8-12H2,(H,17,19)
InChIKeyBHCJUXURLMONIN-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Vestipitant
CID 9832383
((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CID 10065496
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 828546) is N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC1CCCCC1)N1CCc2ccccc2C1.
What is the InChIKey of N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is BHCJUXURLMONIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h4-7,15H,1-3,8-12H2,(H,17,19).
What are the key properties of N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 828546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).