benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C23H24N2O4 — CID 19814258

IUPACbenzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=C1N(Cc2ccccc2)C(=O)OC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C23H24N2O4/c1-18-23(29-22(27)25(18)16-19-8-4-2-5-9-19)12-14-24(15-13-23)21(26)28-17-20-10-6-3-7-11-20/h2-11H,1,12-17H2
InChIKeyFMFSZWCJDSJSGX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.32
Rot. Bonds4

About benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 19814258) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID19814258
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namebenzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=C1N(Cc2ccccc2)C(=O)OC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C23H24N2O4/c1-18-23(29-22(27)25(18)16-19-8-4-2-5-9-19)12-14-24(15-13-23)21(26)28-17-20-10-6-3-7-11-20/h2-11H,1,12-17H2
InChIKeyFMFSZWCJDSJSGX-UHFFFAOYSA-N
XLogP4.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44560548
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CID 981225
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(phenylmethyl)-
CID 3077238
benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779
3-(2-Morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 42631037
Ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
CID 44593203
7-[2-(Benzyloxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56883731
8-[3-(Benzyloxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70787813

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 19814258) is benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is C=C1N(Cc2ccccc2)C(=O)OC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is FMFSZWCJDSJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-18-23(29-22(27)25(18)16-19-8-4-2-5-9-19)12-14-24(15-13-23)21(26)28-17-20-10-6-3-7-11-20/h2-11H,1,12-17H2.
What are the key properties of benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 19814258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).