9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one

C20H26N2O3 — CID 162626207

IUPAC9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)/C=C/c2ccccc2)C1=O
InChIInChI=1S/C20H26N2O3/c1-25-16-15-21-13-5-11-20(19(21)24)12-6-14-22(20)18(23)10-9-17-7-3-2-4-8-17/h2-4,7-10H,5-6,11-16H2,1H3/b10-9+
InChIKeyGPHRXXBQGJGYAD-MDZDMXLPSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds5

About 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626207) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626207
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)/C=C/c2ccccc2)C1=O
InChIInChI=1S/C20H26N2O3/c1-25-16-15-21-13-5-11-20(19(21)24)12-6-14-22(20)18(23)10-9-17-7-3-2-4-8-17/h2-4,7-10H,5-6,11-16H2,1H3/b10-9+
InChIKeyGPHRXXBQGJGYAD-MDZDMXLPSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9-(2-methoxyethyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162632849
1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162632388
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408
1-(4,6-dimethylpyrimidine-5-carbonyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162636176
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
1-[(5R,9R)-9-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-phenylprop-2-en-1-one
CID 171148311
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162626207) is 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2C(=O)/C=C/c2ccccc2)C1=O.
What is the InChIKey of 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is GPHRXXBQGJGYAD-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-16-15-21-13-5-11-20(19(21)24)12-6-14-22(20)18(23)10-9-17-7-3-2-4-8-17/h2-4,7-10H,5-6,11-16H2,1H3/b10-9+.
What are the key properties of 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 342.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).