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

C19H30N2O — CID 140942842

IUPAC(2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@H](C)OC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O/c1-3-20-15-17(2)22-19(16-20)10-13-21(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,17H,3,9-16H2,1-2H3/t17-/m0/s1
InChIKeyYXUMSAKYOWKLFU-KRWDZBQOSA-N
MW302.46 g/mol
LogP2.80
Rot. Bonds4

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

(2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 140942842) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID140942842
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@H](C)OC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O/c1-3-20-15-17(2)22-19(16-20)10-13-21(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,17H,3,9-16H2,1-2H3/t17-/m0/s1
InChIKeyYXUMSAKYOWKLFU-KRWDZBQOSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
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
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 140942842) is (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is CCN1C[C@H](C)OC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YXUMSAKYOWKLFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-20-15-17(2)22-19(16-20)10-13-21(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,17H,3,9-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
(2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 302.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 140942842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).