2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide

C28H43N5O3 — CID 130200538

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H43N5O3/c1-29(2)24(34)19-31(5)25(35)20-32-21-27(33(26(32)36)18-22-10-9-11-22)14-16-28(17-15-27,30(3)4)23-12-7-6-8-13-23/h6-8,12-13,22H,9-11,14-21H2,1-5H3
InChIKeyOROSJHCYLIFSIS-UHFFFAOYSA-N
MW497.68 g/mol
LogP2.84
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 130200538) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID130200538
Molecular FormulaC28H43N5O3
Molecular Weight497.68 g/mol
Exact Mass497.34
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H43N5O3/c1-29(2)24(34)19-31(5)25(35)20-32-21-27(33(26(32)36)18-22-10-9-11-22)14-16-28(17-15-27,30(3)4)23-12-7-6-8-13-23/h6-8,12-13,22H,9-11,14-21H2,1-5H3
InChIKeyOROSJHCYLIFSIS-UHFFFAOYSA-N
XLogP2.84
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
CID 118662460
US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
2,4-Imidazolidinedione, 1,3-diethyl-5,5-diphenyl-
CID 602154
2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 68632578
US10807989, Example SC_1346
CID 130200550
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5083
CID 130200861
US10793528, Example SC_5084
CID 130201060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide (CID 130200538) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide is CN(C)C(=O)CN(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is OROSJHCYLIFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-29(2)24(34)19-31(5)25(35)20-32-21-27(33(26(32)36)18-22-10-9-11-22)14-16-28(17-15-27,30(3)4)23-12-7-6-8-13-23/h6-8,12-13,22H,9-11,14-21H2,1-5H3.
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 497.68 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 130200538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).