2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide

C21H25N3O4 — CID 86766187

IUPAC2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)CNCC(=O)Nc1ccccc1)CC2
InChIInChI=1S/C21H25N3O4/c1-27-18-10-15-8-9-24(14-16(15)11-19(18)28-2)21(26)13-22-12-20(25)23-17-6-4-3-5-7-17/h3-7,10-11,22H,8-9,12-14H2,1-2H3,(H,23,25)
InChIKeyFRMZZGMCBLXZCA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.82
Rot. Bonds7

About 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide

2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide (PubChem CID 86766187) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide
PubChem CID86766187
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)CNCC(=O)Nc1ccccc1)CC2
InChIInChI=1S/C21H25N3O4/c1-27-18-10-15-8-9-24(14-16(15)11-19(18)28-2)21(26)13-22-12-20(25)23-17-6-4-3-5-7-17/h3-7,10-11,22H,8-9,12-14H2,1-2H3,(H,23,25)
InChIKeyFRMZZGMCBLXZCA-UHFFFAOYSA-N
XLogP1.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide (CID 86766187) is 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide is COc1cc2c(cc1OC)CN(C(=O)CNCC(=O)Nc1ccccc1)CC2.
What is the InChIKey of 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide?
The InChIKey is FRMZZGMCBLXZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-10-15-8-9-24(14-16(15)11-19(18)28-2)21(26)13-22-12-20(25)23-17-6-4-3-5-7-17/h3-7,10-11,22H,8-9,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide?
2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide has a molecular weight of 383.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 86766187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).