2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C20H32N2O — CID 135332747

IUPAC2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1CN(C(C)C)CC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C20H32N2O/c1-17(2)22-15-18(3)23-20(16-22)10-13-21(14-11-20)12-9-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3
InChIKeyDRJOEWIHEOSPOE-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135332747) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135332747
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC1CN(C(C)C)CC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C20H32N2O/c1-17(2)22-15-18(3)23-20(16-22)10-13-21(14-11-20)12-9-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3
InChIKeyDRJOEWIHEOSPOE-UHFFFAOYSA-N
XLogP3.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
2-Methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135332747) is 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC1CN(C(C)C)CC2(CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DRJOEWIHEOSPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(2)22-15-18(3)23-20(16-22)10-13-21(14-11-20)12-9-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3.
What are the key properties of 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 316.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).