5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione

C19H37N2O5P — CID 86747818

IUPAC5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(P(=O)(OCC)OCC)N(CCCCCC)C1=O
InChIInChI=1S/C19H37N2O5P/c1-5-9-11-13-15-20-17(22)18(27(24,25-7-3)26-8-4)21(19(20)23)16-14-12-10-6-2/h18H,5-16H2,1-4H3
InChIKeyPNZPWVRCYGQKCY-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.00
Rot. Bonds15

About 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione

5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione (PubChem CID 86747818) has the molecular formula C19H37N2O5P and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione
PubChem CID86747818
Molecular FormulaC19H37N2O5P
Molecular Weight404.49 g/mol
Exact Mass404.24
IUPAC Name5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(P(=O)(OCC)OCC)N(CCCCCC)C1=O
InChIInChI=1S/C19H37N2O5P/c1-5-9-11-13-15-20-17(22)18(27(24,25-7-3)26-8-4)21(19(20)23)16-14-12-10-6-2/h18H,5-16H2,1-4H3
InChIKeyPNZPWVRCYGQKCY-UHFFFAOYSA-N
XLogP5.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-diethoxyphosphoryl-5-ethylidene-1-hexylpyrrolidin-2-one
CID 101398900
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one
CID 14836215
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
CID 58821955
1-hexadecylpyrrole-2,5-dione
CID 4526314
3-butyl-1-heptylaziridin-2-one
CID 23178730
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
1-(2-hydroxyethyl)-5-methyl-3-(5-methyloctadecyl)imidazolidine-2,4-dione
CID 70602283
3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione
CID 101158844
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione?
The IUPAC name of 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione (CID 86747818) is 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione.
What is the SMILES notation for 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione?
The canonical SMILES for 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione is CCCCCCN1C(=O)C(P(=O)(OCC)OCC)N(CCCCCC)C1=O.
What is the InChIKey of 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione?
The InChIKey is PNZPWVRCYGQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N2O5P/c1-5-9-11-13-15-20-17(22)18(27(24,25-7-3)26-8-4)21(19(20)23)16-14-12-10-6-2/h18H,5-16H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione?
5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 5.00, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione is sourced from PubChem (CID 86747818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).