(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C20H27N3O3 — CID 40748676

IUPAC(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-2-20(16-11-7-6-8-12-16)18(25)23(19(26)21-20)15-17(24)22-13-9-4-3-5-10-14-22/h6-8,11-12H,2-5,9-10,13-15H2,1H3,(H,21,26)/t20-/m1/s1
InChIKeyMFXHHAWNCHKAOX-HXUWFJFHSA-N
MW357.45 g/mol
LogP2.64
Rot. Bonds4

About (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 40748676) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID40748676
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-2-20(16-11-7-6-8-12-16)18(25)23(19(26)21-20)15-17(24)22-13-9-4-3-5-10-14-22/h6-8,11-12H,2-5,9-10,13-15H2,1H3,(H,21,26)/t20-/m1/s1
InChIKeyMFXHHAWNCHKAOX-HXUWFJFHSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9320030
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 7263656
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-piperidin-1-ylphenyl)acetamide
CID 26871371
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 40748676) is (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O.
What is the InChIKey of (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MFXHHAWNCHKAOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-20(16-11-7-6-8-12-16)18(25)23(19(26)21-20)15-17(24)22-13-9-4-3-5-10-14-22/h6-8,11-12H,2-5,9-10,13-15H2,1H3,(H,21,26)/t20-/m1/s1.
What are the key properties of (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 40748676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).