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

C20H29N3O3 — CID 138510073

IUPAC3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
SMILESC=CC/C(N)=C/C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-5-9-16(21)12-14(2)17(24)13-23-18(25)20(3,22(4)19(23)26)15-10-7-6-8-11-15/h5,12,15H,1-2,6-11,13,21H2,3-4H3/b16-12-
InChIKeyXCLWDPUESXAEFN-VBKFSLOCSA-N
MW359.47 g/mol
LogP2.76
Rot. Bonds7

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

3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 138510073) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
PubChem CID138510073
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
SMILESC=CC/C(N)=C/C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-5-9-16(21)12-14(2)17(24)13-23-18(25)20(3,22(4)19(23)26)15-10-7-6-8-11-15/h5,12,15H,1-2,6-11,13,21H2,3-4H3/b16-12-
InChIKeyXCLWDPUESXAEFN-VBKFSLOCSA-N
XLogP2.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione
CID 138510127
(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
CID 87672451
5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90371540
3-[(4Z)-7-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-(cyclohexen-1-yl)-1,5-dimethylimidazolidine-2,4-dione
CID 138509989
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
CID 138509992
1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
CID 138510008
5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
CID 138510101
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
1,5-dimethyl-5-(2-methylcyclohexyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
CID 138510123
5-(6-azabicyclo[3.2.2]nona-1(8),5(9)-dien-7-yl)-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
CID 138510126
5-cyclohex-2-en-1-yl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
CID 138510136
5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione
CID 138510163

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione (CID 138510073) is 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione is C=CC/C(N)=C/C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O.
What is the InChIKey of 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XCLWDPUESXAEFN-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-9-16(21)12-14(2)17(24)13-23-18(25)20(3,22(4)19(23)26)15-10-7-6-8-11-15/h5,12,15H,1-2,6-11,13,21H2,3-4H3/b16-12-.
What are the key properties of 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione?
3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 359.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 138510073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).