[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone

C18H25NO3 — CID 11312728

IUPAC[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
SMILESCC(C)(C)[C@H]1COC2(CC[C@@H](O)C2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-17(2,3)15-12-22-18(10-9-14(20)11-18)19(15)16(21)13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3/t14-,15-,18?/m1/s1
InChIKeyHOSCIYWIUYBCBV-QOYAAKSSSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds1

About [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone

[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone (PubChem CID 11312728) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
PubChem CID11312728
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
SMILESCC(C)(C)[C@H]1COC2(CC[C@@H](O)C2)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-17(2,3)15-12-22-18(10-9-14(20)11-18)19(15)16(21)13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3/t14-,15-,18?/m1/s1
InChIKeyHOSCIYWIUYBCBV-QOYAAKSSSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone with MolForge

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Related Compounds

(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
CID 101140234
8-tert-butyl-4-(pyridine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360524
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
(3S)-8-tert-butyl-4-(4-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95658435
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
CID 10493667
8-tert-butyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360522
(3,3-dimethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-phenylmethanone
CID 15922262
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
(3R)-8-tert-butyl-4-(4-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95658450
8-tert-butyl-4-(3,4-difluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360532

Frequently Asked Questions

What is the IUPAC name of [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The IUPAC name of [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone (CID 11312728) is [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone.
What is the SMILES notation for [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The canonical SMILES for [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone is CC(C)(C)[C@H]1COC2(CC[C@@H](O)C2)N1C(=O)c1ccccc1.
What is the InChIKey of [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The InChIKey is HOSCIYWIUYBCBV-QOYAAKSSSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,3)15-12-22-18(10-9-14(20)11-18)19(15)16(21)13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3/t14-,15-,18?/m1/s1.
What are the key properties of [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone has a molecular weight of 303.40 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone is sourced from PubChem (CID 11312728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).