9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H30N2O5 — CID 72922064

IUPAC9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(OC)c(O)c1)CC2
InChIInChI=1S/C21H30N2O5/c1-27-13-3-10-23-15-21(7-6-19(23)25)8-11-22(12-9-21)20(26)16-4-5-18(28-2)17(24)14-16/h4-5,14,24H,3,6-13,15H2,1-2H3
InChIKeyXFPCWUGDSCQQMX-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.28
Rot. Bonds6

About 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72922064) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72922064
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(OC)c(O)c1)CC2
InChIInChI=1S/C21H30N2O5/c1-27-13-3-10-23-15-21(7-6-19(23)25)8-11-22(12-9-21)20(26)16-4-5-18(28-2)17(24)14-16/h4-5,14,24H,3,6-13,15H2,1-2H3
InChIKeyXFPCWUGDSCQQMX-UHFFFAOYSA-N
XLogP2.28
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
9-(3-fluoro-4-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72906926
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72866706
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
9-[2-(2,5-dimethylphenyl)acetyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72882721
4-[[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 70773528
9-(3,5-dimethoxybenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72837618
2-(3-methoxypropyl)-N-(3-methylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70787450

Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72922064) is 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(OC)c(O)c1)CC2.
What is the InChIKey of 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XFPCWUGDSCQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-27-13-3-10-23-15-21(7-6-19(23)25)8-11-22(12-9-21)20(26)16-4-5-18(28-2)17(24)14-16/h4-5,14,24H,3,6-13,15H2,1-2H3.
What are the key properties of 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 390.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72922064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).