N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H17N3O4 — CID 660938

IUPACN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17N3O4/c1-12(22-17(24)14-9-5-6-10-15(14)18(22)25)16(23)21-19(26)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,23,26)
InChIKeyVUGAMOPKCDRVGL-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.70
Rot. Bonds4

About N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 660938) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID660938
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17N3O4/c1-12(22-17(24)14-9-5-6-10-15(14)18(22)25)16(23)21-19(26)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,23,26)
InChIKeyVUGAMOPKCDRVGL-UHFFFAOYSA-N
XLogP1.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 660938) is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is VUGAMOPKCDRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(22-17(24)14-9-5-6-10-15(14)18(22)25)16(23)21-19(26)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,23,26).
What are the key properties of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 351.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 660938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).