2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

C22H18N2O4 — CID 7164190

IUPAC2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-18(14-6-2-1-3-7-14)12-23-19(26)13-24-21(27)16-10-4-8-15-9-5-11-17(20(15)16)22(24)28/h1-11,18,25H,12-13H2,(H,23,26)/t18-/m0/s1
InChIKeyPMGNUOPQWJQGQQ-SFHVURJKSA-N
MW374.40 g/mol
LogP2.29
Rot. Bonds5

About 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide (PubChem CID 7164190) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
PubChem CID7164190
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c25-18(14-6-2-1-3-7-14)12-23-19(26)13-24-21(27)16-10-4-8-15-9-5-11-17(20(15)16)22(24)28/h1-11,18,25H,12-13H2,(H,23,26)/t18-/m0/s1
InChIKeyPMGNUOPQWJQGQQ-SFHVURJKSA-N
XLogP2.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide 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-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 113202039
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
CID 113202430
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8798907

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide?
The IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide (CID 7164190) is 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide is O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NC[C@H](O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide?
The InChIKey is PMGNUOPQWJQGQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-18(14-6-2-1-3-7-14)12-23-19(26)13-24-21(27)16-10-4-8-15-9-5-11-17(20(15)16)22(24)28/h1-11,18,25H,12-13H2,(H,23,26)/t18-/m0/s1.
What are the key properties of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide?
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide is sourced from PubChem (CID 7164190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).