4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one

C15H28N2O2 — CID 90380476

IUPAC4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one
SMILESCCC1NC(=O)NC1C(C)CCCCC(=O)C(C)C
InChIInChI=1S/C15H28N2O2/c1-5-12-14(17-15(19)16-12)11(4)8-6-7-9-13(18)10(2)3/h10-12,14H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyXMCUWXQSYLCVDQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.87
Rot. Bonds8

About 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one

4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one (PubChem CID 90380476) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one
PubChem CID90380476
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one
SMILESCCC1NC(=O)NC1C(C)CCCCC(=O)C(C)C
InChIInChI=1S/C15H28N2O2/c1-5-12-14(17-15(19)16-12)11(4)8-6-7-9-13(18)10(2)3/h10-12,14H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyXMCUWXQSYLCVDQ-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one?
The IUPAC name of 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one (CID 90380476) is 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one?
The canonical SMILES for 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one is CCC1NC(=O)NC1C(C)CCCCC(=O)C(C)C.
What is the InChIKey of 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one?
The InChIKey is XMCUWXQSYLCVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-12-14(17-15(19)16-12)11(4)8-6-7-9-13(18)10(2)3/h10-12,14H,5-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one?
4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(8-methyl-7-oxononan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 90380476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).