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

C19H22N2O3 — CID 2545817

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-23-17-8-7-16(11-18(17)24-2)20-19(22)13-21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyUSHNPSRKUUDNSK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds5

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2545817) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2545817
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-23-17-8-7-16(11-18(17)24-2)20-19(22)13-21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyUSHNPSRKUUDNSK-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 2545817) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1OC.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is USHNPSRKUUDNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-8-7-16(11-18(17)24-2)20-19(22)13-21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2545817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).