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

C26H39N5O3 — CID 130200475

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N5O3/c1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32)
InChIKeyPRPDZOORFJLTGH-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.24
Rot. Bonds8

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

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200475) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200475
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N5O3/c1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32)
InChIKeyPRPDZOORFJLTGH-UHFFFAOYSA-N
XLogP2.24
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
4-(2-amino-2-oxoethyl)-N-[1-(3-isopropenylphenyl)-1-methylethyl]-1-piperazinecarboxamide
CID 753260
N-(tert-butylcarbamoyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2116804
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 2586807
N-benzyl-2-[3-(2-methylbenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3241715
N-(4-methylbenzyl)-2-[3-(4-methylbenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3244214
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3245977
N-benzyl-N-tert-butyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4395351

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200475) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is PRPDZOORFJLTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 469.63 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).