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

C26H39N5O3 — CID 130200473

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N5O3/c1-27-22(32)16-28-23(33)18-30-19-25(31(24(30)34)17-20-8-7-9-20)12-14-26(15-13-25,29(2)3)21-10-5-4-6-11-21/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyVWFQBTQSAWIZAW-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.16
Rot. Bonds8

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

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide (PubChem CID 130200473) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide
PubChem CID130200473
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39N5O3/c1-27-22(32)16-28-23(33)18-30-19-25(31(24(30)34)17-20-8-7-9-20)12-14-26(15-13-25,29(2)3)21-10-5-4-6-11-21/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyVWFQBTQSAWIZAW-UHFFFAOYSA-N
XLogP2.16
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
1-[1-[Oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea
CID 647179
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
(2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;methanoic acid
CID 25241658
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
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 2100046

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide (CID 130200473) is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide?
The InChIKey is VWFQBTQSAWIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-27-22(32)16-28-23(33)18-30-19-25(31(24(30)34)17-20-8-7-9-20)12-14-26(15-13-25,29(2)3)21-10-5-4-6-11-21/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide?
2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide has a molecular weight of 469.63 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 130200473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).