1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C18H24N2O3 — CID 163305769

IUPAC1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(OCC(=O)N2CCCC23CCCNC3=O)cc1C
InChIInChI=1S/C18H24N2O3/c1-13-5-6-15(11-14(13)2)23-12-16(21)20-10-4-8-18(20)7-3-9-19-17(18)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22)
InChIKeyXONHDHGZRTZKHQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163305769) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163305769
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(OCC(=O)N2CCCC23CCCNC3=O)cc1C
InChIInChI=1S/C18H24N2O3/c1-13-5-6-15(11-14(13)2)23-12-16(21)20-10-4-8-18(20)7-3-9-19-17(18)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22)
InChIKeyXONHDHGZRTZKHQ-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310700
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 164699962
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,4-dimethylphenoxy)acetate
CID 23905536
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
4-[3-(3,4-dimethylphenoxy)propanoyl]-1,4-diazepan-2-one
CID 62898366
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
(6R,11R)-11-hydroxy-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163318425
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
2-(4-chlorophenoxy)-1-[4-[2-(3,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546619
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163305769) is 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(OCC(=O)N2CCCC23CCCNC3=O)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XONHDHGZRTZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-6-15(11-14(13)2)23-12-16(21)20-10-4-8-18(20)7-3-9-19-17(18)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 316.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163305769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).