1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one

C14H26N2O2 — CID 75447497

IUPAC1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one
SMILESCCCCCCC(CC)C(=O)N1CC(=O)N(C)C1
InChIInChI=1S/C14H26N2O2/c1-4-6-7-8-9-12(5-2)14(18)16-10-13(17)15(3)11-16/h12H,4-11H2,1-3H3
InChIKeyDKCCOIDSMRLCSB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds7

About 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one

1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one (PubChem CID 75447497) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one
PubChem CID75447497
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one
SMILESCCCCCCC(CC)C(=O)N1CC(=O)N(C)C1
InChIInChI=1S/C14H26N2O2/c1-4-6-7-8-9-12(5-2)14(18)16-10-13(17)15(3)11-16/h12H,4-11H2,1-3H3
InChIKeyDKCCOIDSMRLCSB-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
(4S)-4-ethyldecan-3-one
CID 134895926
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
5-ethylundecan-4-one
CID 11687075
2-ethyldecanethioic S-acid
CID 20634435
azane;2-ethyldodecanamide
CID 174462460

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one?
The IUPAC name of 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one (CID 75447497) is 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one is CCCCCCC(CC)C(=O)N1CC(=O)N(C)C1.
What is the InChIKey of 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one?
The InChIKey is DKCCOIDSMRLCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-6-7-8-9-12(5-2)14(18)16-10-13(17)15(3)11-16/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one?
1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 75447497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).