3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C19H27ClN2O2 — CID 3077249

IUPAC3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESC=C1N(CC)C(=O)OC12CCN(CCc1ccc(C)cc1)CC2.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-4-21-16(3)19(23-18(21)22)10-13-20(14-11-19)12-9-17-7-5-15(2)6-8-17;/h5-8H,3-4,9-14H2,1-2H3;1H
InChIKeyOEYBKFPEOWXKRJ-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.78
Rot. Bonds4

About 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 3077249) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID3077249
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESC=C1N(CC)C(=O)OC12CCN(CCc1ccc(C)cc1)CC2.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-4-21-16(3)19(23-18(21)22)10-13-20(14-11-19)12-9-17-7-5-15(2)6-8-17;/h5-8H,3-4,9-14H2,1-2H3;1H
InChIKeyOEYBKFPEOWXKRJ-UHFFFAOYSA-N
XLogP3.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 3077249) is 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is C=C1N(CC)C(=O)OC12CCN(CCc1ccc(C)cc1)CC2.Cl.
What is the InChIKey of 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is OEYBKFPEOWXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-4-21-16(3)19(23-18(21)22)10-13-20(14-11-19)12-9-17-7-5-15(2)6-8-17;/h5-8H,3-4,9-14H2,1-2H3;1H.
What are the key properties of 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 3077249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).