methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C21H28N2O5 — CID 45223689

IUPACmethyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(C)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2
InChIInChI=1S/C21H28N2O5/c1-22-19(25)14-16(20(26)28-3)21(22)8-11-23(12-9-21)10-4-5-15-6-7-17(24)18(13-15)27-2/h4-7,13,16,24H,8-12,14H2,1-3H3/b5-4+
InChIKeyLFNSIOYMFVWAJS-SNAWJCMRSA-N
MW388.46 g/mol
LogP1.90
Rot. Bonds5

About methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45223689) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45223689
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Namemethyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(C)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2
InChIInChI=1S/C21H28N2O5/c1-22-19(25)14-16(20(26)28-3)21(22)8-11-23(12-9-21)10-4-5-15-6-7-17(24)18(13-15)27-2/h4-7,13,16,24H,8-12,14H2,1-3H3/b5-4+
InChIKeyLFNSIOYMFVWAJS-SNAWJCMRSA-N
XLogP1.90
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72895701
methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687245
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 140581488
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
N-[1-[7-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl]acetamide
CID 45218418
[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 3462379
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethoxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687325
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
5-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohexane-1,3-dione
CID 91078430
[(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-enyl] acetate
CID 23725772

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45223689) is methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(C)C12CCN(C/C=C/c1ccc(O)c(OC)c1)CC2.
What is the InChIKey of methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is LFNSIOYMFVWAJS-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-22-19(25)14-16(20(26)28-3)21(22)8-11-23(12-9-21)10-4-5-15-6-7-17(24)18(13-15)27-2/h4-7,13,16,24H,8-12,14H2,1-3H3/b5-4+.
What are the key properties of methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45223689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).