N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H16N4O3 — CID 7995035

IUPACN-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O
InChIInChI=1S/C15H16N4O3/c1-15(2)13(21)19(14(22)18-15)9-12(20)17-11-5-3-10(4-6-11)7-8-16/h3-6H,7,9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyJKQYNTBCBQRALL-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.02
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 7995035) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID7995035
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O
InChIInChI=1S/C15H16N4O3/c1-15(2)13(21)19(14(22)18-15)9-12(20)17-11-5-3-10(4-6-11)7-8-16/h3-6H,7,9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyJKQYNTBCBQRALL-UHFFFAOYSA-N
XLogP1.02
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 51132308
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 8956082
N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181965
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 7182004
4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 7182046
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-(4-acetamidophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40812694
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 7916609
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 7995035) is N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is JKQYNTBCBQRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-15(2)13(21)19(14(22)18-15)9-12(20)17-11-5-3-10(4-6-11)7-8-16/h3-6H,7,9H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7995035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).