methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

C24H28N2O5 — CID 95716716

IUPACmethyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2
InChIInChI=1S/C24H28N2O5/c1-3-14-31-26-22(27)16-20(23(28)29-2)24(26)10-12-25(13-11-24)17-18-6-8-19(9-7-18)21-5-4-15-30-21/h3-9,15,20H,1,10-14,16-17H2,2H3/t20-/m0/s1
InChIKeySHVPMJMQXQFFBN-FQEVSTJZSA-N
MW424.50 g/mol
LogP3.42
Rot. Bonds7

About methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 95716716) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID95716716
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2
InChIInChI=1S/C24H28N2O5/c1-3-14-31-26-22(27)16-20(23(28)29-2)24(26)10-12-25(13-11-24)17-18-6-8-19(9-7-18)21-5-4-15-30-21/h3-9,15,20H,1,10-14,16-17H2,2H3/t20-/m0/s1
InChIKeySHVPMJMQXQFFBN-FQEVSTJZSA-N
XLogP3.42
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687462
methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95707391
methyl (4S)-2-oxo-1-prop-2-enoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95724910
methyl (4R)-8-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95722750
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 (4S)-2-oxo-1-prop-2-enoxy-8-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95714584
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 (4R)-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95728877
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl 8-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687288
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
methyl 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 95716716) is methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2.
What is the InChIKey of methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is SHVPMJMQXQFFBN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-14-31-26-22(27)16-20(23(28)29-2)24(26)10-12-25(13-11-24)17-18-6-8-19(9-7-18)21-5-4-15-30-21/h3-9,15,20H,1,10-14,16-17H2,2H3/t20-/m0/s1.
What are the key properties of methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 95716716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).