N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide

C18H19N3O3 — CID 23915154

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
SMILESCCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H19N3O3/c1-2-3-16(22)20(13-8-9-13)15-10-17(23)21(18(15)24)14-6-4-12(11-19)5-7-14/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyBDVILLKSLZCYRC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.98
Rot. Bonds5

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

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide (PubChem CID 23915154) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
PubChem CID23915154
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
SMILESCCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H19N3O3/c1-2-3-16(22)20(13-8-9-13)15-10-17(23)21(18(15)24)14-6-4-12(11-19)5-7-14/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyBDVILLKSLZCYRC-UHFFFAOYSA-N
XLogP1.98
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23943070
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942
N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23743759
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide
CID 23972416
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
[4-[3-[cyclopropyl(3,3-dimethylbutanoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830943
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802159
ethyl 4-[3-[cyclopropyl-(2-phenoxyacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970977

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide (CID 23915154) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide is CCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide?
The InChIKey is BDVILLKSLZCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-3-16(22)20(13-8-9-13)15-10-17(23)21(18(15)24)14-6-4-12(11-19)5-7-14/h4-7,13,15H,2-3,8-10H2,1H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide has a molecular weight of 325.37 g/mol, XLogP of 1.98, 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]-N-cyclopropylbutanamide is sourced from PubChem (CID 23915154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).