N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

C23H28N2O4 — CID 7292933

IUPACN-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O4/c26-21-12-20(14-25-11-10-17-6-4-5-7-18(17)13-25)28-15-22(21)29-16-23(27)24-19-8-2-1-3-9-19/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)
InChIKeyQXQRJTIEPQJKJJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.03
Rot. Bonds6

About N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 7292933) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID7292933
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O4/c26-21-12-20(14-25-11-10-17-6-4-5-7-18(17)13-25)28-15-22(21)29-16-23(27)24-19-8-2-1-3-9-19/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)
InChIKeyQXQRJTIEPQJKJJ-UHFFFAOYSA-N
XLogP3.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide 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

N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 18575688
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]pyran-4-one
CID 7292899
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(4-methoxyphenyl)-2-oxoethoxy]pyran-4-one
CID 7292993
methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate
CID 7292989
N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 45494192
N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 71703246
2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 51043423
2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
CID 51043639
4-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]-2-fluoro-N-methylbenzamide
CID 135152379
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837
4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carboxylic acid
CID 135152201
tert-butyl N-[(1S,3R)-3-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]cyclopentyl]carbamate
CID 142383301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 7292933) is N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is QXQRJTIEPQJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-21-12-20(14-25-11-10-17-6-4-5-7-18(17)13-25)28-15-22(21)29-16-23(27)24-19-8-2-1-3-9-19/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27).
What are the key properties of N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 396.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 7292933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).