N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide

C18H19FN4O3 — CID 2416181

IUPACN-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1F
InChIInChI=1S/C18H19FN4O3/c19-13-6-1-2-7-14(13)22(11-5-10-20)15(24)12-23-16(25)18(21-17(23)26)8-3-4-9-18/h1-2,6-7H,3-5,8-9,11-12H2,(H,21,26)
InChIKeyOTETUZJUYSPQDR-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.94
Rot. Bonds5

About N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide

N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 2416181) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide
PubChem CID2416181
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1F
InChIInChI=1S/C18H19FN4O3/c19-13-6-1-2-7-14(13)22(11-5-10-20)15(24)12-23-16(25)18(21-17(23)26)8-3-4-9-18/h1-2,6-7H,3-5,8-9,11-12H2,(H,21,26)
InChIKeyOTETUZJUYSPQDR-UHFFFAOYSA-N
XLogP1.94
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.94
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

3-{[(2R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}-1-phenylurea
CID 11702880
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2524258
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3909305
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4789736
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9503158
5-Butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 16229725
2-[[2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16290888

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide (CID 2416181) is N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide is N#CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1F.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is OTETUZJUYSPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-13-6-1-2-7-14(13)22(11-5-10-20)15(24)12-23-16(25)18(21-17(23)26)8-3-4-9-18/h1-2,6-7H,3-5,8-9,11-12H2,(H,21,26).
What are the key properties of N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide?
N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2416181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).