methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C27H30N2O6 — CID 71687516

IUPACmethyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccc3ccccc3c2)C12CCN(Cc1ccc(CO)o1)CC2
InChIInChI=1S/C27H30N2O6/c1-33-26(32)24-15-25(31)29(34-18-19-6-7-20-4-2-3-5-21(20)14-19)27(24)10-12-28(13-11-27)16-22-8-9-23(17-30)35-22/h2-9,14,24,30H,10-13,15-18H2,1H3
InChIKeyVKCDFMQKYUHWAQ-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.41
Rot. Bonds7

About methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687516) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687516
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Namemethyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccc3ccccc3c2)C12CCN(Cc1ccc(CO)o1)CC2
InChIInChI=1S/C27H30N2O6/c1-33-26(32)24-15-25(31)29(34-18-19-6-7-20-4-2-3-5-21(20)14-19)27(24)10-12-28(13-11-27)16-22-8-9-23(17-30)35-22/h2-9,14,24,30H,10-13,15-18H2,1H3
InChIKeyVKCDFMQKYUHWAQ-UHFFFAOYSA-N
XLogP3.41
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl (4R)-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95723525
methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45217765
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
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 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351
methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95708997
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
methyl 1-[(3-methoxyphenyl)methoxy]-2-oxo-8-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687471
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-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687462
methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethoxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687325

Frequently Asked Questions

What is the IUPAC name of methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687516) is methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(OCc2ccc3ccccc3c2)C12CCN(Cc1ccc(CO)o1)CC2.
What is the InChIKey of methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is VKCDFMQKYUHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-33-26(32)24-15-25(31)29(34-18-19-6-7-20-4-2-3-5-21(20)14-19)27(24)10-12-28(13-11-27)16-22-8-9-23(17-30)35-22/h2-9,14,24,30H,10-13,15-18H2,1H3.
What are the key properties of methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).