methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C21H30N2O5 — CID 45176411

IUPACmethyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(OC)ccc1OC)CC2
InChIInChI=1S/C21H30N2O5/c1-5-23-19(24)13-17(20(25)28-4)21(23)8-10-22(11-9-21)14-15-12-16(26-2)6-7-18(15)27-3/h6-7,12,17H,5,8-11,13-14H2,1-4H3
InChIKeyOYEAZBZVJXDIEL-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.08
Rot. Bonds6

About methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45176411) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45176411
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namemethyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(OC)ccc1OC)CC2
InChIInChI=1S/C21H30N2O5/c1-5-23-19(24)13-17(20(25)28-4)21(23)8-10-22(11-9-21)14-15-12-16(26-2)6-7-18(15)27-3/h6-7,12,17H,5,8-11,13-14H2,1-4H3
InChIKeyOYEAZBZVJXDIEL-UHFFFAOYSA-N
XLogP2.08
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethoxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687325
methyl 8-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45175026
methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45169658
methyl (4R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95718249
methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45207014
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687262
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
methyl 1-(3-methylbutyl)-2-oxo-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45174122
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
8-[(3-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72885490

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45176411) is methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(OC)ccc1OC)CC2.
What is the InChIKey of methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is OYEAZBZVJXDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-5-23-19(24)13-17(20(25)28-4)21(23)8-10-22(11-9-21)14-15-12-16(26-2)6-7-18(15)27-3/h6-7,12,17H,5,8-11,13-14H2,1-4H3.
What are the key properties of methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45176411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).