3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H26N2O4 — CID 2998699

IUPAC3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C20H26N2O4/c1-4-26-17-9-8-15(14(3)23)11-16(17)12-22-18(24)20(21-19(22)25)10-6-5-7-13(20)2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,21,25)
InChIKeyMVXXUIUQSAQEHV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.29
Rot. Bonds5

About 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2998699) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2998699
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C20H26N2O4/c1-4-26-17-9-8-15(14(3)23)11-16(17)12-22-18(24)20(21-19(22)25)10-6-5-7-13(20)2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,21,25)
InChIKeyMVXXUIUQSAQEHV-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.29
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

(5-acetyl-2-ethoxyphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955566
(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043517
(5R,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572012
(5S,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572009
(5R,6S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51884022
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55861144
N-(4-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585170
N-(4-acetylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585168
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469529

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2998699) is 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MVXXUIUQSAQEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-26-17-9-8-15(14(3)23)11-16(17)12-22-18(24)20(21-19(22)25)10-6-5-7-13(20)2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,21,25).
What are the key properties of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2998699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).