9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O3 — CID 72924903

IUPAC9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(CC(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C
InChIInChI=1S/C22H32N2O3/c1-17-4-5-19(14-18(17)2)15-21(27)23-11-8-22(9-12-23)7-6-20(26)24(16-22)10-3-13-25/h4-5,14,25H,3,6-13,15-16H2,1-2H3
InChIKeyFYEAPPAAFIAZPX-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.46
Rot. Bonds5

About 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72924903) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72924903
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(CC(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C
InChIInChI=1S/C22H32N2O3/c1-17-4-5-19(14-18(17)2)15-21(27)23-11-8-22(9-12-23)7-6-20(26)24(16-22)10-3-13-25/h4-5,14,25H,3,6-13,15-16H2,1-2H3
InChIKeyFYEAPPAAFIAZPX-UHFFFAOYSA-N
XLogP2.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(3-hydroxypropyl)-9-[(4-methylnaphthalen-1-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747225
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
9-[2-(4-fluoro-3-methylphenyl)acetyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72909705
2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
2-(3-hydroxypropyl)-9-[2-(methylamino)pyrimidine-5-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72925522
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854659

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72924903) is 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(CC(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C.
What is the InChIKey of 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FYEAPPAAFIAZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17-4-5-19(14-18(17)2)15-21(27)23-11-8-22(9-12-23)7-6-20(26)24(16-22)10-3-13-25/h4-5,14,25H,3,6-13,15-16H2,1-2H3.
What are the key properties of 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72924903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).