N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

C20H18N4O3 — CID 46696889

IUPACN-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-14-19(26)23(20(27)24(14)17-5-3-2-4-6-17)13-18(25)22-16-9-7-15(8-10-16)11-12-21/h2-10,14H,11,13H2,1H3,(H,22,25)
InChIKeyGUEFHOJGXGEOHU-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.55
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (PubChem CID 46696889) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
PubChem CID46696889
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-14-19(26)23(20(27)24(14)17-5-3-2-4-6-17)13-18(25)22-16-9-7-15(8-10-16)11-12-21/h2-10,14H,11,13H2,1H3,(H,22,25)
InChIKeyGUEFHOJGXGEOHU-UHFFFAOYSA-N
XLogP2.55
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 46698957
N-(3-chloro-4-cyanophenyl)-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696995
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 9042802
N-(3,4-difluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18275689
N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7995035
N-benzyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51608700
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
CID 26075366
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7870174

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (CID 46696889) is N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is CC1C(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The InChIKey is GUEFHOJGXGEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-19(26)23(20(27)24(14)17-5-3-2-4-6-17)13-18(25)22-16-9-7-15(8-10-16)11-12-21/h2-10,14H,11,13H2,1H3,(H,22,25).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46696889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).