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

C18H20N2O — CID 3722367

IUPACN-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-14(15-7-3-2-4-8-15)19-18(21)20-12-11-16-9-5-6-10-17(16)13-20/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyJZSYSKKTJZZZCY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.52
Rot. Bonds2

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

N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 3722367) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID3722367
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-14(15-7-3-2-4-8-15)19-18(21)20-12-11-16-9-5-6-10-17(16)13-20/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyJZSYSKKTJZZZCY-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)pentanoic acid
CID 107566072
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108508045
(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-hydroxybutanoic acid
CID 107825907
N-[1-(4-hydroxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108871103
methyl (2R,3R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methylpentanoate
CID 51824958
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 3722367) is N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(NC(=O)N1CCc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JZSYSKKTJZZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(15-7-3-2-4-8-15)19-18(21)20-12-11-16-9-5-6-10-17(16)13-20/h2-10,14H,11-13H2,1H3,(H,19,21).
What are the key properties of N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 3722367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).