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

C22H34N2O — CID 140942846

IUPAC(2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC[C@H]1CN(CCC2CC2)CC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C22H34N2O/c1-19-17-24(14-10-21-7-8-21)18-22(25-19)11-15-23(16-12-22)13-9-20-5-3-2-4-6-20/h2-6,19,21H,7-18H2,1H3/t19-/m0/s1
InChIKeyCYBALUVIPLIISP-IBGZPJMESA-N
MW342.53 g/mol
LogP3.58
Rot. Bonds6

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

(2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 140942846) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID140942846
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name(2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC[C@H]1CN(CCC2CC2)CC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C22H34N2O/c1-19-17-24(14-10-21-7-8-21)18-22(25-19)11-15-23(16-12-22)13-9-20-5-3-2-4-6-20/h2-6,19,21H,7-18H2,1H3/t19-/m0/s1
InChIKeyCYBALUVIPLIISP-IBGZPJMESA-N
XLogP3.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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CID 411956
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CID 20522011
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2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 140942846) is (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is C[C@H]1CN(CCC2CC2)CC2(CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is CYBALUVIPLIISP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N2O/c1-19-17-24(14-10-21-7-8-21)18-22(25-19)11-15-23(16-12-22)13-9-20-5-3-2-4-6-20/h2-6,19,21H,7-18H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
(2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 342.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-cyclopropylethyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 140942846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).