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

C18H20N2O — CID 23876233

IUPACN-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20N2O/c1-2-14-7-9-17(10-8-14)19-18(21)20-12-11-15-5-3-4-6-16(15)13-20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyIXGSPDQACZJTAQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds2

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

N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 23876233) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID23876233
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20N2O/c1-2-14-7-9-17(10-8-14)19-18(21)20-12-11-15-5-3-4-6-16(15)13-20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyIXGSPDQACZJTAQ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 23876233) is N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is IXGSPDQACZJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-14-7-9-17(10-8-14)19-18(21)20-12-11-15-5-3-4-6-16(15)13-20/h3-10H,2,11-13H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 23876233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).