N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H18N4O3 — CID 2708886

IUPACN-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C16H18N4O3/c1-3-16(4-2)14(22)20(15(23)19-16)10-13(21)18-12-7-5-6-11(8-12)9-17/h5-8H,3-4,10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyTXQHLXGMGGNBNB-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.61
Rot. Bonds5

About N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2708886) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2708886
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C16H18N4O3/c1-3-16(4-2)14(22)20(15(23)19-16)10-13(21)18-12-7-5-6-11(8-12)9-17/h5-8H,3-4,10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyTXQHLXGMGGNBNB-UHFFFAOYSA-N
XLogP1.61
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.61
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-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
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)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2544493
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2078188
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
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-[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-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 62060669

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2708886) is N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O.
What is the InChIKey of N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is TXQHLXGMGGNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-16(4-2)14(22)20(15(23)19-16)10-13(21)18-12-7-5-6-11(8-12)9-17/h5-8H,3-4,10H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2708886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).