1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione

C13H24N2O2 — CID 59110996

IUPAC1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCC(C)(CC)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(4,6-2)8-9-15-11(16)10-14(7-3)12(15)17/h5-10H2,1-4H3
InChIKeyNFHCUFCSMGNHKH-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.49
Rot. Bonds6

About 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione

1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione (PubChem CID 59110996) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione
PubChem CID59110996
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCC(C)(CC)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(4,6-2)8-9-15-11(16)10-14(7-3)12(15)17/h5-10H2,1-4H3
InChIKeyNFHCUFCSMGNHKH-UHFFFAOYSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione (CID 59110996) is 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione is CCN1CC(=O)N(CCC(C)(CC)CC)C1=O.
What is the InChIKey of 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione?
The InChIKey is NFHCUFCSMGNHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(4,6-2)8-9-15-11(16)10-14(7-3)12(15)17/h5-10H2,1-4H3.
What are the key properties of 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione?
1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione has a molecular weight of 240.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59110996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).