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

C24H37N5O4 — CID 130200491

IUPAC2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C(=O)CN1C(=O)N(CC(=O)NCCO)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H37N5O4/c1-26(2)21(32)17-29-22(33)28(16-20(31)25-14-15-30)18-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,30H,10-18H2,1-4H3,(H,25,31)
InChIKeyUNJBXGKFQLAHSJ-UHFFFAOYSA-N
MW459.59 g/mol
LogP0.69
Rot. Bonds8

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

2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 130200491) has the molecular formula C24H37N5O4 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID130200491
Molecular FormulaC24H37N5O4
Molecular Weight459.59 g/mol
Exact Mass459.28
IUPAC Name2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C(=O)CN1C(=O)N(CC(=O)NCCO)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H37N5O4/c1-26(2)21(32)17-29-22(33)28(16-20(31)25-14-15-30)18-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,30H,10-18H2,1-4H3,(H,25,31)
InChIKeyUNJBXGKFQLAHSJ-UHFFFAOYSA-N
XLogP0.69
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
2-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550185
3-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 145986720
2-(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)-N-{2-[(2-hydroxyethyl)amino]ethyl}acetamide
CID 3088576
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
3-(2-Hydroxyethyl)-5,5-diphenyl-hydantoin
CID 97689

Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (CID 130200491) is 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is CN(C)C(=O)CN1C(=O)N(CC(=O)NCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is UNJBXGKFQLAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O4/c1-26(2)21(32)17-29-22(33)28(16-20(31)25-14-15-30)18-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,30H,10-18H2,1-4H3,(H,25,31).
What are the key properties of 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 130200491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).