8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

C21H24N2O — CID 91205266

IUPAC8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESCC1CN(Cc2ccccc2)CCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C21H24N2O/c1-17-15-23(16-18-8-4-2-5-9-18)13-12-21(17)14-20(22-24-21)19-10-6-3-7-11-19/h2-11,14,17,22H,12-13,15-16H2,1H3
InChIKeyOSOANTXGFRZXSQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.84
Rot. Bonds3

About 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 91205266) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID91205266
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESCC1CN(Cc2ccccc2)CCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C21H24N2O/c1-17-15-23(16-18-8-4-2-5-9-18)13-12-21(17)14-20(22-24-21)19-10-6-3-7-11-19/h2-11,14,17,22H,12-13,15-16H2,1H3
InChIKeyOSOANTXGFRZXSQ-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
CID 91262927
N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine
CID 57152021
6-benzylidene-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylcyclohexen-1-amine
CID 57175469
3-(4-Methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 57178620
N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-pentylidenecyclohexen-1-amine
CID 57229356
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90701932
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
CID 90794079
N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90852364
7-Benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90904521
N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90945542
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-(cyclohexylmethyl)carbamothioate
CID 90952247
8-Benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91070069

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 91205266) is 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is CC1CN(Cc2ccccc2)CCC12C=C(c1ccccc1)NO2.
What is the InChIKey of 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is OSOANTXGFRZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-17-15-23(16-18-8-4-2-5-9-18)13-12-21(17)14-20(22-24-21)19-10-6-3-7-11-19/h2-11,14,17,22H,12-13,15-16H2,1H3.
What are the key properties of 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 320.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 91205266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).