ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate

C25H37N3O3 — CID 130209726

IUPACethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCOC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C25H37N3O3/c1-4-31-22(29)18-27-19-24(28(23(27)30)17-20-9-8-10-20)13-15-25(16-14-24,26(2)3)21-11-6-5-7-12-21/h5-7,11-12,20H,4,8-10,13-19H2,1-3H3
InChIKeyVKPJVKJCBDUXHI-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.86
Rot. Bonds7

About ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate

ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 130209726) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID130209726
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Nameethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCOC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C25H37N3O3/c1-4-31-22(29)18-27-19-24(28(23(27)30)17-20-9-8-10-20)13-15-25(16-14-24,26(2)3)21-11-6-5-7-12-21/h5-7,11-12,20H,4,8-10,13-19H2,1-3H3
InChIKeyVKPJVKJCBDUXHI-UHFFFAOYSA-N
XLogP3.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 130209726) is ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate is CCOC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is VKPJVKJCBDUXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-4-31-22(29)18-27-19-24(28(23(27)30)17-20-9-8-10-20)13-15-25(16-14-24,26(2)3)21-11-6-5-7-12-21/h5-7,11-12,20H,4,8-10,13-19H2,1-3H3.
What are the key properties of ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate?
ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 427.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 130209726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).