N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide

C15H15N3O3 — CID 62060669

IUPACN-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C15H15N3O3/c1-15(2)7-13(20)18(14(15)21)9-12(19)17-11-5-3-4-10(6-11)8-16/h3-6H,7,9H2,1-2H3,(H,17,19)
InChIKeyXVTTWDXICTZQDW-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.28
Rot. Bonds3

About N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide

N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 62060669) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID62060669
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C15H15N3O3/c1-15(2)7-13(20)18(14(15)21)9-12(19)17-11-5-3-4-10(6-11)8-16/h3-6H,7,9H2,1-2H3,(H,17,19)
InChIKeyXVTTWDXICTZQDW-UHFFFAOYSA-N
XLogP1.28
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081777
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072
N-(3-cyanophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63609880
N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092834
N-(3-cyanophenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7561950
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2544493
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide (CID 62060669) is N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide is CC1(C)CC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is XVTTWDXICTZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-15(2)7-13(20)18(14(15)21)9-12(19)17-11-5-3-4-10(6-11)8-16/h3-6H,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62060669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).