N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

C13H20N4O3 — CID 121159553

IUPACN-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H20N4O3/c18-11-6-14-12(19)17(11)10-7-16(8-10)13(20)15-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,19)(H,15,20)
InChIKeyMMSQRNQRGLYEPT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.26
Rot. Bonds2

About N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (PubChem CID 121159553) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
PubChem CID121159553
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H20N4O3/c18-11-6-14-12(19)17(11)10-7-16(8-10)13(20)15-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,19)(H,15,20)
InChIKeyMMSQRNQRGLYEPT-UHFFFAOYSA-N
XLogP0.26
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119099993
N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159557
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121159564
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (CID 121159553) is N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The InChIKey is MMSQRNQRGLYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-11-6-14-12(19)17(11)10-7-16(8-10)13(20)15-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,19)(H,15,20).
What are the key properties of N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121159553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).