N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C16H16N4O3 — CID 8760806

IUPACN-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23)/t16-/m1/s1
InChIKeyOCCZLGXJCJSJOY-MRXNPFEDSA-N
MW312.33 g/mol
LogP1.22
Rot. Bonds4

About N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8760806) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID8760806
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23)/t16-/m1/s1
InChIKeyOCCZLGXJCJSJOY-MRXNPFEDSA-N
XLogP1.22
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.22
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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119438955
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884244
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55360371
N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 41208294
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 2702037
N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962315
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8760806) is N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OCCZLGXJCJSJOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23)/t16-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8760806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).