(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione

C19H23N3O3 — CID 132971591

IUPAC(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC(=O)N2CCCCCC2/C=C/c2ccccc2)N1
InChIInChI=1S/C19H23N3O3/c23-17(13-16-18(24)21-19(25)20-16)22-12-6-2-5-9-15(22)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,15-16H,2,5-6,9,12-13H2,(H2,20,21,24,25)/b11-10+/t15?,16-/m0/s1
InChIKeyNKVACOJXYOMJKI-ROFGATLBSA-N
MW341.41 g/mol
LogP2.07
Rot. Bonds4

About (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 132971591) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID132971591
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC(=O)N2CCCCCC2/C=C/c2ccccc2)N1
InChIInChI=1S/C19H23N3O3/c23-17(13-16-18(24)21-19(25)20-16)22-12-6-2-5-9-15(22)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,15-16H,2,5-6,9,12-13H2,(H2,20,21,24,25)/b11-10+/t15?,16-/m0/s1
InChIKeyNKVACOJXYOMJKI-ROFGATLBSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
2-methyl-6-[(2S)-2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridazin-3-one
CID 97030316
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
5-phenacylimidazolidine-2,4-dione
CID 15716927
5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide
CID 75501574
5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56807603
(5S)-5-[2-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 167765151
4-[(E)-2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethenyl]benzoic acid
CID 20738234
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine
CID 11723464

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione (CID 132971591) is (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CC(=O)N2CCCCCC2/C=C/c2ccccc2)N1.
What is the InChIKey of (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NKVACOJXYOMJKI-ROFGATLBSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(13-16-18(24)21-19(25)20-16)22-12-6-2-5-9-15(22)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,15-16H,2,5-6,9,12-13H2,(H2,20,21,24,25)/b11-10+/t15?,16-/m0/s1.
What are the key properties of (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 132971591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).