2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

C19H27NO3 — CID 97488515

IUPAC2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2
InChIInChI=1S/C19H27NO3/c1-18(2,3)17(21)20-11-9-19(10-12-20)13-16(14-22-19)23-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyGKGZPIPKXHLRPX-MRXNPFEDSA-N
MW317.43 g/mol
LogP3.26
Rot. Bonds2

About 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 97488515) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID97488515
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2
InChIInChI=1S/C19H27NO3/c1-18(2,3)17(21)20-11-9-19(10-12-20)13-16(14-22-19)23-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyGKGZPIPKXHLRPX-MRXNPFEDSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one with MolForge

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129459441
[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125015462
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134071245
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 110149617
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
[3-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]-[(3S)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129453372
2-methylsulfonyl-1-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418966
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1H-pyrrol-2-yl)methanone
CID 118741128

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (CID 97488515) is 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is GKGZPIPKXHLRPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2,3)17(21)20-11-9-19(10-12-20)13-16(14-22-19)23-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 97488515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).