N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C15H18N2O3 — CID 118729030

IUPACN-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(C(C)C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3/c1-10-8-13(18)17(15(10)20)11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)
InChIKeyUPFINDJYRPIBRO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.09
Rot. Bonds4

About N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 118729030) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID118729030
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(C(C)C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3/c1-10-8-13(18)17(15(10)20)11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)
InChIKeyUPFINDJYRPIBRO-UHFFFAOYSA-N
XLogP1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.09
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-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride
CID 164773853
(2R)-N-benzyl-2-[(1R,2S,6R,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124717571
(2R)-N-benzyl-2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124718458
(2S)-N-benzyl-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98278836
(2R)-2-[(3aR,7aS)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-benzylpropanamide
CID 7122106
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
CID 11043632
[1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55928270
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 51968212
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 118729030) is N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC1CC(=O)N(C(C)C(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is UPFINDJYRPIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-8-13(18)17(15(10)20)11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 118729030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).