2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide

C19H22N2O2 — CID 6466377

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyTZRVOWVPEOMNQZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.08
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 6466377) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID6466377
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyTZRVOWVPEOMNQZ-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide (CID 6466377) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is TZRVOWVPEOMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-9-7-17(8-10-18)20-19(22)14-21-12-11-15-5-3-4-6-16(15)13-21/h3-10H,2,11-14H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 6466377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).