5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

C23H28N2O5 — CID 138510343

IUPAC5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESC=C(/C=C\C(=C\C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C)OCC)OCC
InChIInChI=1S/C23H28N2O5/c1-6-29-17(3)13-14-19(30-7-2)15-23(4)21(27)25(22(28)24(23)5)16-20(26)18-11-9-8-10-12-18/h8-15H,3,6-7,16H2,1-2,4-5H3/b14-13-,19-15-
InChIKeyAHTWDGHQZWZICH-ISSFDRLWSA-N
MW412.49 g/mol
LogP3.55
Rot. Bonds10

About 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 138510343) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
PubChem CID138510343
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESC=C(/C=C\C(=C\C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C)OCC)OCC
InChIInChI=1S/C23H28N2O5/c1-6-29-17(3)13-14-19(30-7-2)15-23(4)21(27)25(22(28)24(23)5)16-20(26)18-11-9-8-10-12-18/h8-15H,3,6-7,16H2,1-2,4-5H3/b14-13-,19-15-
InChIKeyAHTWDGHQZWZICH-ISSFDRLWSA-N
XLogP3.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 90358741
1,5-dimethyl-3-phenacyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 90359148
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
1,5-dimethyl-5-(3-methylbut-2-enyl)-3-phenacyl-1,3-diazinane-2,4,6-trione
CID 90358570
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 138510294
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione
CID 177488195
(2E)-4-ethoxypenta-2,4-dienoic acid
CID 87744766

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (CID 138510343) is 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is C=C(/C=C\C(=C\C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C)OCC)OCC.
What is the InChIKey of 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is AHTWDGHQZWZICH-ISSFDRLWSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-6-29-17(3)13-14-19(30-7-2)15-23(4)21(27)25(22(28)24(23)5)16-20(26)18-11-9-8-10-12-18/h8-15H,3,6-7,16H2,1-2,4-5H3/b14-13-,19-15-.
What are the key properties of 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 138510343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).