9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

C19H27NO4 — CID 67996292

IUPAC9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCCC(c1ccc(OC)cc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C19H27NO4/c1-3-17(14-4-6-16(23-2)7-5-14)20-13-12-19(24-18(20)22)10-8-15(21)9-11-19/h4-7,15,17,21H,3,8-13H2,1-2H3
InChIKeyKZLCGDKLCCEGFM-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.66
Rot. Bonds4

About 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 67996292) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID67996292
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCCC(c1ccc(OC)cc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C19H27NO4/c1-3-17(14-4-6-16(23-2)7-5-14)20-13-12-19(24-18(20)22)10-8-15(21)9-11-19/h4-7,15,17,21H,3,8-13H2,1-2H3
InChIKeyKZLCGDKLCCEGFM-UHFFFAOYSA-N
XLogP3.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-3-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996624
9-hydroxy-3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 160709287
3-[1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 77393955
3-[(1S)-1-(4-aminophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 70652584
3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996093
9-hydroxy-3-[1-[4-(2-hydroxy-1-methyl-2H-pyridin-4-yl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 123341907
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
ethyl 3-[1-(4-bromophenyl)ethyl]-2-oxo-1-oxa-3-azaspiro[5.5]undecane-9-carboxylate
CID 77394129
1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
CID 115311931
(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134926070
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
CID 66857251

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 67996292) is 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is CCC(c1ccc(OC)cc1)N1CCC2(CCC(O)CC2)OC1=O.
What is the InChIKey of 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is KZLCGDKLCCEGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-17(14-4-6-16(23-2)7-5-14)20-13-12-19(24-18(20)22)10-8-15(21)9-11-19/h4-7,15,17,21H,3,8-13H2,1-2H3.
What are the key properties of 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 67996292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).