1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone

C19H27NO4 — CID 97418516

IUPAC1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
SMILESCOC[C@H]1COCCC12CCN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C19H27NO4/c1-22-13-16-14-23-12-9-19(16)7-10-20(11-8-19)18(21)15-24-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/t16-/m0/s1
InChIKeyKCROIVLBKQMDQO-INIZCTEOSA-N
MW333.43 g/mol
LogP2.36
Rot. Bonds5

About 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone

1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone (PubChem CID 97418516) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
PubChem CID97418516
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
SMILESCOC[C@H]1COCCC12CCN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C19H27NO4/c1-22-13-16-14-23-12-9-19(16)7-10-20(11-8-19)18(21)15-24-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/t16-/m0/s1
InChIKeyKCROIVLBKQMDQO-INIZCTEOSA-N
XLogP2.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97418511
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
(2R)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429739
(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429738
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131660815

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone (CID 97418516) is 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone is COC[C@H]1COCCC12CCN(C(=O)COc1ccccc1)CC2.
What is the InChIKey of 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone?
The InChIKey is KCROIVLBKQMDQO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27NO4/c1-22-13-16-14-23-12-9-19(16)7-10-20(11-8-19)18(21)15-24-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone?
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone has a molecular weight of 333.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone is sourced from PubChem (CID 97418516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).