ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate

C19H26N2O5 — CID 90330086

IUPACethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate
SMILESCCOC(=O)C(COC)N1CCCC12CN(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C19H26N2O5/c1-4-26-17(22)16(12-24-2)21-11-5-10-19(21)13-20(18(19)23)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyDOCJLQMNFCBWFV-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.45
Rot. Bonds7

About ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate

ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate (PubChem CID 90330086) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate
PubChem CID90330086
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate
SMILESCCOC(=O)C(COC)N1CCCC12CN(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C19H26N2O5/c1-4-26-17(22)16(12-24-2)21-11-5-10-19(21)13-20(18(19)23)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyDOCJLQMNFCBWFV-UHFFFAOYSA-N
XLogP1.45
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate with MolForge

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Related Compounds

2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
CID 138514500
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2S,3S)-3-butoxy-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 70322331
ethyl 3-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidine-3-carboxylate
CID 74778805
ethyl (2R)-2-hydroxy-2-[(2S,3S)-3-hydroxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidin-3-yl]acetate
CID 44519591
ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120
ethyl 3-(4-methoxyphenyl)-3-oxo-2-pyrrolidin-1-ylpropanoate
CID 57161588
2-benzyl-5-[1,3-dihydroxy-1-(4-methoxyanilino)butan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 135247900
ethyl 2-(4-cyanophenyl)-1,4-bis(4-methoxyphenyl)-3-oxopiperazine-2-carboxylate
CID 171061927
ethyl 2-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921319

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate?
The IUPAC name of ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate (CID 90330086) is ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate.
What is the SMILES notation for ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate?
The canonical SMILES for ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate is CCOC(=O)C(COC)N1CCCC12CN(c1ccc(OC)cc1)C2=O.
What is the InChIKey of ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate?
The InChIKey is DOCJLQMNFCBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-26-17(22)16(12-24-2)21-11-5-10-19(21)13-20(18(19)23)14-6-8-15(25-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate?
ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate has a molecular weight of 362.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate is sourced from PubChem (CID 90330086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).