3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione

C22H29N3O3 — CID 138510102

IUPAC3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)CCC1(C)C(=O)N(CC(=O)C(=C)/C=C\CC(=C)N)C(=O)N1C
InChIInChI=1S/C22H29N3O3/c1-7-10-18(8-2)13-14-22(5)20(27)25(21(28)24(22)6)15-19(26)16(3)11-9-12-17(4)23/h7-11H,1-4,12-15,23H2,5-6H3/b11-9-,18-10+
InChIKeyQASDQRDNIPLXEK-GWNMMOMOSA-N
MW383.49 g/mol
LogP3.26
Rot. Bonds11

About 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione

3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 138510102) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID138510102
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)CCC1(C)C(=O)N(CC(=O)C(=C)/C=C\CC(=C)N)C(=O)N1C
InChIInChI=1S/C22H29N3O3/c1-7-10-18(8-2)13-14-22(5)20(27)25(21(28)24(22)6)15-19(26)16(3)11-9-12-17(4)23/h7-11H,1-4,12-15,23H2,5-6H3/b11-9-,18-10+
InChIKeyQASDQRDNIPLXEK-GWNMMOMOSA-N
XLogP3.26
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione (CID 138510102) is 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione is C=C/C=C(\C=C)CCC1(C)C(=O)N(CC(=O)C(=C)/C=C\CC(=C)N)C(=O)N1C.
What is the InChIKey of 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QASDQRDNIPLXEK-GWNMMOMOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-7-10-18(8-2)13-14-22(5)20(27)25(21(28)24(22)6)15-19(26)16(3)11-9-12-17(4)23/h7-11H,1-4,12-15,23H2,5-6H3/b11-9-,18-10+.
What are the key properties of 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 383.49 g/mol, XLogP of 3.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-[(3Z)-3-ethenylhexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 138510102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).