(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate

C21H25NO5 — CID 163551079

IUPAC(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate
SMILESC=CC1=C(OC(=O)NCC)C2(CCC(OCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C21H25NO5/c1-3-17-18(26-20(24)22-4-2)21(27-19(17)23)12-10-16(11-13-21)25-14-15-8-6-5-7-9-15/h3,5-9,16H,1,4,10-14H2,2H3,(H,22,24)
InChIKeyFJCXZDOEELYEBD-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.63
Rot. Bonds6

About (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate

(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate (PubChem CID 163551079) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate
PubChem CID163551079
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate
SMILESC=CC1=C(OC(=O)NCC)C2(CCC(OCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C21H25NO5/c1-3-17-18(26-20(24)22-4-2)21(27-19(17)23)12-10-16(11-13-21)25-14-15-8-6-5-7-9-15/h3,5-9,16H,1,4,10-14H2,2H3,(H,22,24)
InChIKeyFJCXZDOEELYEBD-UHFFFAOYSA-N
XLogP3.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
CID 161078914
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
benzyl ethylcarbamoyl carbonate
CID 174255630
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 174319920
2-acetyl-2-[2-(3-phenylmethoxycyclobutylidene)propyl]cyclopentan-1-one
CID 10544126

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate?
The IUPAC name of (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate (CID 163551079) is (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate.
What is the SMILES notation for (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate?
The canonical SMILES for (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate is C=CC1=C(OC(=O)NCC)C2(CCC(OCc3ccccc3)CC2)OC1=O.
What is the InChIKey of (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate?
The InChIKey is FJCXZDOEELYEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-17-18(26-20(24)22-4-2)21(27-19(17)23)12-10-16(11-13-21)25-14-15-8-6-5-7-9-15/h3,5-9,16H,1,4,10-14H2,2H3,(H,22,24).
What are the key properties of (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate?
(3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate has a molecular weight of 371.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-2-oxo-8-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-4-yl) N-ethylcarbamate is sourced from PubChem (CID 163551079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).