(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione

C21H28N2O4 — CID 7043517

IUPAC(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O
InChIInChI=1S/C21H28N2O4/c1-4-27-18-11-10-15(14(2)24)12-16(18)13-23-19(25)21(3,22-20(23)26)17-8-6-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyBLSYUMABBWTNFE-NRFANRHFSA-N
MW372.47 g/mol
LogP3.68
Rot. Bonds6

About (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione

(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione (PubChem CID 7043517) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
PubChem CID7043517
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O
InChIInChI=1S/C21H28N2O4/c1-4-27-18-11-10-15(14(2)24)12-16(18)13-23-19(25)21(3,22-20(23)26)17-8-6-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyBLSYUMABBWTNFE-NRFANRHFSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.68
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

3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2998699
(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2633572
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
(5-acetyl-2-ethoxyphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955566
(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[4-ethoxy-3-[(2-phenylpyrrolidin-1-yl)methyl]phenyl]ethanone
CID 112808311
methyl 1-[(5-acetyl-2-ethoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 112821890
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41022293
1-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-ethoxyphenyl]ethanone;hydrochloride
CID 119927271
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyclohexylimidazolidine-2,4-dione
CID 2694541

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione (CID 7043517) is (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione is CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O.
What is the InChIKey of (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The InChIKey is BLSYUMABBWTNFE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-4-27-18-11-10-15(14(2)24)12-16(18)13-23-19(25)21(3,22-20(23)26)17-8-6-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,22,26)/t21-/m0/s1.
What are the key properties of (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7043517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).