8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

C19H29NO2 — CID 118742396

IUPAC8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1
InChIInChI=1S/C19H29NO2/c1-4-21-18-12-19(22-14-18)7-9-20(10-8-19)13-17-6-5-15(2)16(3)11-17/h5-6,11,18H,4,7-10,12-14H2,1-3H3
InChIKeyVXFUECPDVJHANP-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.46
Rot. Bonds4

About 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118742396) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID118742396
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1
InChIInChI=1S/C19H29NO2/c1-4-21-18-12-19(22-14-18)7-9-20(10-8-19)13-17-6-5-15(2)16(3)11-17/h5-6,11,18H,4,7-10,12-14H2,1-3H3
InChIKeyVXFUECPDVJHANP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
3-[(3-Ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118742393
3-Ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742398
3-[(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118743843
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743849
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
4-(Oxolan-3-yloxy)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 71863110
4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 97014206
8-[(3,4-Dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742395
3-Methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118743848
3-(Cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 134071196

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (CID 118742396) is 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1.
What is the InChIKey of 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VXFUECPDVJHANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-21-18-12-19(22-14-18)7-9-20(10-8-19)13-17-6-5-15(2)16(3)11-17/h5-6,11,18H,4,7-10,12-14H2,1-3H3.
What are the key properties of 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 303.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118742396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).