N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide

C22H19N3O3 — CID 23972640

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C22H19N3O3/c1-3-12-24(21(27)17-8-4-15(2)5-9-17)19-13-20(26)25(22(19)28)18-10-6-16(14-23)7-11-18/h3-11,19H,1,12-13H2,2H3
InChIKeyTZJFOSHJZSXZGZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.83
Rot. Bonds5

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide (PubChem CID 23972640) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
PubChem CID23972640
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C22H19N3O3/c1-3-12-24(21(27)17-8-4-15(2)5-9-17)19-13-20(26)25(22(19)28)18-10-6-16(14-23)7-11-18/h3-11,19H,1,12-13H2,2H3
InChIKeyTZJFOSHJZSXZGZ-UHFFFAOYSA-N
XLogP2.83
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 23944435
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
CID 23832427
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide
CID 23832309
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23916633
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzamide
CID 23745335
methyl 4-[3-[(3-methoxybenzoyl)-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832241
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25049619
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 23860711
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23832245
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 23859389
methyl 4-[2,5-dioxo-3-[(2-phenylacetyl)-prop-2-enylamino]pyrrolidin-1-yl]benzoate
CID 23943055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide (CID 23972640) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide?
The InChIKey is TZJFOSHJZSXZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-12-24(21(27)17-8-4-15(2)5-9-17)19-13-20(26)25(22(19)28)18-10-6-16(14-23)7-11-18/h3-11,19H,1,12-13H2,2H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 23972640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).