2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one

C18H26N2O3 — CID 162629771

IUPAC2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
SMILESCN1CCOC2(CCN(C(=O)C(C)(O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O3/c1-17(22,15-6-4-3-5-7-15)16(21)20-10-8-18(9-11-20)14-19(2)12-13-23-18/h3-7,22H,8-14H2,1-2H3
InChIKeySNXZOZABRGRTQT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.22
Rot. Bonds2

About 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one

2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one (PubChem CID 162629771) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
PubChem CID162629771
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
SMILESCN1CCOC2(CCN(C(=O)C(C)(O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O3/c1-17(22,15-6-4-3-5-7-15)16(21)20-10-8-18(9-11-20)14-19(2)12-13-23-18/h3-7,22H,8-14H2,1-2H3
InChIKeySNXZOZABRGRTQT-UHFFFAOYSA-N
XLogP1.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856
4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138386808
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2,3-diphenylpropan-1-one
CID 110299392
9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985877
(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 134073617
[2-[(1S)-1-amino-2-phenylethyl]-1,3-thiazol-4-yl]-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;dihydrochloride
CID 154919203
1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131943319
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
2,2-diphenyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)propan-1-one
CID 69279340
2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50953250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one (CID 162629771) is 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one is CN1CCOC2(CCN(C(=O)C(C)(O)c3ccccc3)CC2)C1.
What is the InChIKey of 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one?
The InChIKey is SNXZOZABRGRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(22,15-6-4-3-5-7-15)16(21)20-10-8-18(9-11-20)14-19(2)12-13-23-18/h3-7,22H,8-14H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one?
2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 162629771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).