2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C24H37N5O3 — CID 130200486

IUPAC2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCC(C)CN1C(=O)N(CC(=O)NCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H37N5O3/c1-18(2)15-29-22(32)28(16-21(31)26-14-20(25)30)17-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H2,25,30)(H,26,31)
InChIKeyIBWDNMNQUFQKRP-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.75
Rot. Bonds8

About 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 130200486) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID130200486
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCC(C)CN1C(=O)N(CC(=O)NCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H37N5O3/c1-18(2)15-29-22(32)28(16-21(31)26-14-20(25)30)17-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H2,25,30)(H,26,31)
InChIKeyIBWDNMNQUFQKRP-UHFFFAOYSA-N
XLogP1.75
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
Simufilam
CID 46195331
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
1-[1-[Oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea
CID 647179
N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2082034
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 130200486) is 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is CC(C)CN1C(=O)N(CC(=O)NCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is IBWDNMNQUFQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-18(2)15-29-22(32)28(16-21(31)26-14-20(25)30)17-23(29)10-12-24(13-11-23,27(3)4)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H2,25,30)(H,26,31).
What are the key properties of 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 443.59 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 130200486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).