N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide

C13H21N3O4 — CID 102557399

IUPACN-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide
SMILESCC1CCCC(OC(C)C(=O)NN2CC(=O)NC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-8-4-3-5-10(6-8)20-9(2)12(18)15-16-7-11(17)14-13(16)19/h8-10H,3-7H2,1-2H3,(H,15,18)(H,14,17,19)
InChIKeyUBWPVGVKAWBTLC-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.55
Rot. Bonds4

About N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide

N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide (PubChem CID 102557399) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide
PubChem CID102557399
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide
SMILESCC1CCCC(OC(C)C(=O)NN2CC(=O)NC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-8-4-3-5-10(6-8)20-9(2)12(18)15-16-7-11(17)14-13(16)19/h8-10H,3-7H2,1-2H3,(H,15,18)(H,14,17,19)
InChIKeyUBWPVGVKAWBTLC-UHFFFAOYSA-N
XLogP0.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.55
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

(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide
CID 100631617
2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
CID 99104158
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 99104146
(2R)-1-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropan-1-one
CID 124721602
2-(3-methylcyclohexyl)oxy-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]propanamide
CID 56791501

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide (CID 102557399) is N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide is CC1CCCC(OC(C)C(=O)NN2CC(=O)NC2=O)C1.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide?
The InChIKey is UBWPVGVKAWBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8-4-3-5-10(6-8)20-9(2)12(18)15-16-7-11(17)14-13(16)19/h8-10H,3-7H2,1-2H3,(H,15,18)(H,14,17,19).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide?
N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide has a molecular weight of 283.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide is sourced from PubChem (CID 102557399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).