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

C23H32N2O5 — CID 71687245

IUPACmethyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCON1C(=O)CC(C(=O)OC)C12CCN(C/C=C/c1ccccc1OC)CC2
InChIInChI=1S/C23H32N2O5/c1-4-16-30-25-21(26)17-19(22(27)29-3)23(25)11-14-24(15-12-23)13-7-9-18-8-5-6-10-20(18)28-2/h5-10,19H,4,11-17H2,1-3H3/b9-7+
InChIKeyBXLZVMVOGSHGDD-VQHVLOKHSA-N
MW416.52 g/mol
LogP2.91
Rot. Bonds8

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

methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687245) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687245
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Namemethyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCON1C(=O)CC(C(=O)OC)C12CCN(C/C=C/c1ccccc1OC)CC2
InChIInChI=1S/C23H32N2O5/c1-4-16-30-25-21(26)17-19(22(27)29-3)23(25)11-14-24(15-12-23)13-7-9-18-8-5-6-10-20(18)28-2/h5-10,19H,4,11-17H2,1-3H3/b9-7+
InChIKeyBXLZVMVOGSHGDD-VQHVLOKHSA-N
XLogP2.91
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754931
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715385
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
[6-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 56856094
methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687262
methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227578
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687245) is methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is CCCON1C(=O)CC(C(=O)OC)C12CCN(C/C=C/c1ccccc1OC)CC2.
What is the InChIKey of methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is BXLZVMVOGSHGDD-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-4-16-30-25-21(26)17-19(22(27)29-3)23(25)11-14-24(15-12-23)13-7-9-18-8-5-6-10-20(18)28-2/h5-10,19H,4,11-17H2,1-3H3/b9-7+.
What are the key properties of methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).