(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C21H29N3O4 — CID 7595466

IUPAC(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H29N3O4/c1-4-16-8-6-7-13-23(16)18(25)14-24-19(26)21(5-2,22-20(24)27)15-9-11-17(28-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,22,27)/t16-,21+/m1/s1
InChIKeyUERGXQDUYFCXFI-IERDGZPVSA-N
MW387.48 g/mol
LogP2.64
Rot. Bonds6

About (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 7595466) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID7595466
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H29N3O4/c1-4-16-8-6-7-13-23(16)18(25)14-24-19(26)21(5-2,22-20(24)27)15-9-11-17(28-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,22,27)/t16-,21+/m1/s1
InChIKeyUERGXQDUYFCXFI-IERDGZPVSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802337
(5R)-3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 39954602
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7264920
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
(5S)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802480
5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46638454
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242858
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 7595466) is (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is UERGXQDUYFCXFI-IERDGZPVSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-16-8-6-7-13-23(16)18(25)14-24-19(26)21(5-2,22-20(24)27)15-9-11-17(28-3)12-10-15/h9-12,16H,4-8,13-14H2,1-3H3,(H,22,27)/t16-,21+/m1/s1.
What are the key properties of (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 387.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7595466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).