3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane

C19H20N2O3 — CID 90892974

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
SMILESCC.O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C17H14N2O3.C2H6/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22;1-2/h1-9H,10-11H2,(H,18,20);1-2H3
InChIKeyQNUAGNYGMSGJCW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane

3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane (PubChem CID 90892974) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
PubChem CID90892974
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
SMILESCC.O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C17H14N2O3.C2H6/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22;1-2/h1-9H,10-11H2,(H,18,20);1-2H3
InChIKeyQNUAGNYGMSGJCW-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-[3-[(2-cyanoacetyl)amino]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108922697
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
3-(4-nitro-1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 718182
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110660112

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane (CID 90892974) is 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane is CC.O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane?
The InChIKey is QNUAGNYGMSGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C2H6/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22;1-2/h1-9H,10-11H2,(H,18,20);1-2H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane?
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane has a molecular weight of 324.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane is sourced from PubChem (CID 90892974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).