5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione

C17H26N2O3 — CID 135296428

IUPAC5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione
SMILESC=C(C(=O)C(CCCCC)N1C(=O)NC(=O)C1C)C(C)=CC
InChIInChI=1S/C17H26N2O3/c1-6-8-9-10-14(15(20)12(4)11(3)7-2)19-13(5)16(21)18-17(19)22/h7,13-14H,4,6,8-10H2,1-3,5H3,(H,18,21,22)
InChIKeyKUWKECSETBNQAD-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds8

About 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione

5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione (PubChem CID 135296428) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione
PubChem CID135296428
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione
SMILESC=C(C(=O)C(CCCCC)N1C(=O)NC(=O)C1C)C(C)=CC
InChIInChI=1S/C17H26N2O3/c1-6-8-9-10-14(15(20)12(4)11(3)7-2)19-13(5)16(21)18-17(19)22/h7,13-14H,4,6,8-10H2,1-3,5H3,(H,18,21,22)
InChIKeyKUWKECSETBNQAD-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione (CID 135296428) is 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione is C=C(C(=O)C(CCCCC)N1C(=O)NC(=O)C1C)C(C)=CC.
What is the InChIKey of 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione?
The InChIKey is KUWKECSETBNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-8-9-10-14(15(20)12(4)11(3)7-2)19-13(5)16(21)18-17(19)22/h7,13-14H,4,6,8-10H2,1-3,5H3,(H,18,21,22).
What are the key properties of 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione?
5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-4-methylidene-5-oxoundec-2-en-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 135296428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).