2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide

C20H26N2O2 — CID 51229164

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-15(23)22-13-12-16-8-6-7-11-18(16)19(22)14-20(24)21(2)17-9-4-3-5-10-17/h6-8,11-13,17,19H,3-5,9-10,14H2,1-2H3
InChIKeyUBCDCEIMNQBWFQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide (PubChem CID 51229164) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide
PubChem CID51229164
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-15(23)22-13-12-16-8-6-7-11-18(16)19(22)14-20(24)21(2)17-9-4-3-5-10-17/h6-8,11-13,17,19H,3-5,9-10,14H2,1-2H3
InChIKeyUBCDCEIMNQBWFQ-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide (CID 51229164) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide?
The InChIKey is UBCDCEIMNQBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(23)22-13-12-16-8-6-7-11-18(16)19(22)14-20(24)21(2)17-9-4-3-5-10-17/h6-8,11-13,17,19H,3-5,9-10,14H2,1-2H3.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide has a molecular weight of 326.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 51229164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).