(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane

C19H29NO2 — CID 97475433

IUPAC(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCOC[C@H]1COCCC12CCN(Cc1ccccc1C)CC2
InChIInChI=1S/C19H29NO2/c1-16-5-3-4-6-17(16)13-20-10-7-19(8-11-20)9-12-22-15-18(19)14-21-2/h3-6,18H,7-15H2,1-2H3/t18-/m0/s1
InChIKeyPBQFWBWBBVIBKE-SFHVURJKSA-N
MW303.45 g/mol
LogP3.26
Rot. Bonds4

About (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane

(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97475433) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97475433
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCOC[C@H]1COCCC12CCN(Cc1ccccc1C)CC2
InChIInChI=1S/C19H29NO2/c1-16-5-3-4-6-17(16)13-20-10-7-19(8-11-20)9-12-22-15-18(19)14-21-2/h3-6,18H,7-15H2,1-2H3/t18-/m0/s1
InChIKeyPBQFWBWBBVIBKE-SFHVURJKSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(methoxymethyl)-9-[(5-methylfuran-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418481
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149
5-(methoxymethyl)-9-[(3-methylthiophen-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155847881
5-(methoxymethyl)-9-[(6-methyl-2-pyridinyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155847593
(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418757
5-(methoxymethyl)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155853740
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-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
(5R)-5-(ethoxymethyl)-9-[(5-methylthiophen-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418617
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131663178

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 97475433) is (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is COC[C@H]1COCCC12CCN(Cc1ccccc1C)CC2.
What is the InChIKey of (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is PBQFWBWBBVIBKE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29NO2/c1-16-5-3-4-6-17(16)13-20-10-7-19(8-11-20)9-12-22-15-18(19)14-21-2/h3-6,18H,7-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 303.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97475433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).