N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C20H21N3O4 — CID 90581492

IUPACN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(C(O)CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-22(2)14-9-7-13(8-10-14)17(24)11-21-18(25)12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10,17,24H,11-12H2,1-2H3,(H,21,25)
InChIKeyFYYYLSJBOYEYNQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.20
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 90581492) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID90581492
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(C(O)CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-22(2)14-9-7-13(8-10-14)17(24)11-21-18(25)12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10,17,24H,11-12H2,1-2H3,(H,21,25)
InChIKeyFYYYLSJBOYEYNQ-UHFFFAOYSA-N
XLogP1.20
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
[(1S)-1-[4-(dimethylamino)phenyl]-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-dimethylazanium
CID 7496139
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 7164190
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796440
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796434
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331
2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 90581492) is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CN(C)c1ccc(C(O)CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FYYYLSJBOYEYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22(2)14-9-7-13(8-10-14)17(24)11-21-18(25)12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10,17,24H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 90581492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).