3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione

C11H20N2O3 — CID 81081593

IUPAC3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(CCCOC)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-4-7-13-10(14)9(12-11(13)15)6-5-8-16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyZTORWFSSIRGNKJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds7

About 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione

3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione (PubChem CID 81081593) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
PubChem CID81081593
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(CCCOC)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-4-7-13-10(14)9(12-11(13)15)6-5-8-16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyZTORWFSSIRGNKJ-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-ethyl-3-(4-methoxybutyl)imidazolidine-2,4-dione
CID 97074949
(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one
CID 99779652
5-(3-Methoxypropyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013181
5-(Oxan-4-yl)imidazolidine-2,4-dione
CID 11521195
5-[3-(Carbethoxyaminooxy)-propyl]-hydantoin
CID 19708154
methyl 3-[(4S)-1-methyl-2,5-dioxoimidazolidin-4-yl]propanoate
CID 59157725
N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 70000108
3-(5-Methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 70332716
N-(methylcarbamoyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanamide
CID 121479228
N-(diethylcarbamoyl)pyrrolidine-2-carboxamide
CID 140132904
2-(2,5-Dioxoimidazolidin-1-yl)pentanamide
CID 141023626
5-(3-Hydroxypropyl)-1-methylimidazolidine-2,4-dione
CID 141320922

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione (CID 81081593) is 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione is CCCCN1C(=O)NC(CCCOC)C1=O.
What is the InChIKey of 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The InChIKey is ZTORWFSSIRGNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-7-13-10(14)9(12-11(13)15)6-5-8-16-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione has a molecular weight of 228.29 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 81081593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).