ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate

C29H36N2O5 — CID 11648884

IUPACethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)c(OC3CCCC3)c2)=NOC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C29H36N2O5/c1-3-34-28(32)26-27(22-13-14-24(33-2)25(19-22)35-23-11-7-8-12-23)30-36-29(26)15-17-31(18-16-29)20-21-9-5-4-6-10-21/h4-6,9-10,13-14,19,23,26H,3,7-8,11-12,15-18,20H2,1-2H3
InChIKeyQCYSONPWVNTGIP-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.97
Rot. Bonds8

About ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate

ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate (PubChem CID 11648884) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate
PubChem CID11648884
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Nameethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)c(OC3CCCC3)c2)=NOC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C29H36N2O5/c1-3-34-28(32)26-27(22-13-14-24(33-2)25(19-22)35-23-11-7-8-12-23)30-36-29(26)15-17-31(18-16-29)20-21-9-5-4-6-10-21/h4-6,9-10,13-14,19,23,26H,3,7-8,11-12,15-18,20H2,1-2H3
InChIKeyQCYSONPWVNTGIP-UHFFFAOYSA-N
XLogP4.97
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
4-[[(4aR,8aS)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]methyl]benzoic acid
CID 86755617
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 59550971
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
tert-butyl (3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 70096559
ethyl 4-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate
CID 123451512
[2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-hydroxypiperidin-1-yl]-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 68687231
2-benzyl-4-(4-cyclopentyloxy-3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 10895319
1-[(3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]ethanone
CID 70093783
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
(3R,4R)-1-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine;ethanol
CID 142074552

Frequently Asked Questions

What is the IUPAC name of ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate?
The IUPAC name of ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate (CID 11648884) is ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate.
What is the SMILES notation for ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate?
The canonical SMILES for ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate is CCOC(=O)C1C(c2ccc(OC)c(OC3CCCC3)c2)=NOC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate?
The InChIKey is QCYSONPWVNTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-3-34-28(32)26-27(22-13-14-24(33-2)25(19-22)35-23-11-7-8-12-23)30-36-29(26)15-17-31(18-16-29)20-21-9-5-4-6-10-21/h4-6,9-10,13-14,19,23,26H,3,7-8,11-12,15-18,20H2,1-2H3.
What are the key properties of ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate?
ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate has a molecular weight of 492.62 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-4-carboxylate is sourced from PubChem (CID 11648884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).