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

C18H20N2O2 — CID 6469538

IUPACN-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O2/c1-2-22-17-10-6-5-9-16(17)19-18(21)20-12-11-14-7-3-4-8-15(14)13-20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyXECSGFUSHBEQRT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.68
Rot. Bonds3

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

N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 6469538) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID6469538
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O2/c1-2-22-17-10-6-5-9-16(17)19-18(21)20-12-11-14-7-3-4-8-15(14)13-20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyXECSGFUSHBEQRT-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(2S,4S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-ethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
CID 110876105
N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147239
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330651
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 6469538) is N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCOc1ccccc1NC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XECSGFUSHBEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-22-17-10-6-5-9-16(17)19-18(21)20-12-11-14-7-3-4-8-15(14)13-20/h3-10H,2,11-13H2,1H3,(H,19,21).
What are the key properties of N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 6469538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).