(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide

C13H21N3O4 — CID 100631617

IUPAC(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@H](O[C@H](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)/t8-,9-,10+/m1/s1
InChIKeyUBWPVGVKAWBTLC-BBBLOLIVSA-N
MW283.33 g/mol
LogP0.55
Rot. Bonds4

About (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide

(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide (PubChem CID 100631617) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide
PubChem CID100631617
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@H](O[C@H](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)/t8-,9-,10+/m1/s1
InChIKeyUBWPVGVKAWBTLC-BBBLOLIVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide?
The IUPAC name of (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide (CID 100631617) is (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide.
What is the SMILES notation for (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide?
The canonical SMILES for (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide is C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NN2CC(=O)NC2=O)C1.
What is the InChIKey of (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide?
The InChIKey is UBWPVGVKAWBTLC-BBBLOLIVSA-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)/t8-,9-,10+/m1/s1.
What are the key properties of (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide?
(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-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 (2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide is sourced from PubChem (CID 100631617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).