methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate

C26H39N3O3 — CID 130202891

IUPACmethyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate
SMILESCOC(=O)CCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N3O3/c1-27(2)26(22-11-5-4-6-12-22)16-14-25(15-17-26)20-28(18-8-13-23(30)32-3)24(31)29(25)19-21-9-7-10-21/h4-6,11-12,21H,7-10,13-20H2,1-3H3
InChIKeyFYTOYUDVVMFIOF-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.25
Rot. Bonds8

About methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate

methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate (PubChem CID 130202891) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate
PubChem CID130202891
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Namemethyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate
SMILESCOC(=O)CCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N3O3/c1-27(2)26(22-11-5-4-6-12-22)16-14-25(15-17-26)20-28(18-8-13-23(30)32-3)24(31)29(25)19-21-9-7-10-21/h4-6,11-12,21H,7-10,13-20H2,1-3H3
InChIKeyFYTOYUDVVMFIOF-UHFFFAOYSA-N
XLogP4.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate with MolForge

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Related Compounds

US10807989, Example SC_1346
CID 130200550
US10793528, Example SC_5046
CID 130201069
CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide
CID 130200475
US10807989, Example SC_1130
CID 130200492
US10807989, Example SC_1010
CID 130200538
US10829480, Example SC_2096
CID 130200555
US10807989, Example SC_1007
CID 130200571
US10807989, Example SC_1008
CID 130200592
US10807989, Example SC_1011
CID 130200596
US10807989, Example SC_1009
CID 130200656
US10807989, Example SC_1140
CID 130200698
CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetamide
CID 130200750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate?
The IUPAC name of methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate (CID 130202891) is methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate.
What is the SMILES notation for methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate?
The canonical SMILES for methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate is COC(=O)CCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate?
The InChIKey is FYTOYUDVVMFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-27(2)26(22-11-5-4-6-12-22)16-14-25(15-17-26)20-28(18-8-13-23(30)32-3)24(31)29(25)19-21-9-7-10-21/h4-6,11-12,21H,7-10,13-20H2,1-3H3.
What are the key properties of methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate?
methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate has a molecular weight of 441.62 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]butanoate is sourced from PubChem (CID 130202891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).