N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide

C41H57NO10 — CID 174319920

IUPACN-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESCc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCC(=O)NC(C=O)C(C)(C)C)CC3)OC2=O)c(C)c1
InChIInChI=1S/C41H57NO10/c1-29-24-30(2)36(31(3)25-29)37-38(51-27-32-10-8-7-9-11-32)41(52-39(37)45)14-12-33(13-15-41)50-23-22-48-19-18-46-16-17-47-20-21-49-28-35(44)42-34(26-43)40(4,5)6/h7-11,24-26,33-34H,12-23,27-28H2,1-6H3,(H,42,44)
InChIKeyPWGXUUQNGFKXQK-UHFFFAOYSA-N
MW723.90 g/mol
LogP5.59
Rot. Bonds21

About N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide

N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 174319920) has the molecular formula C41H57NO10 and a molecular weight of 723.90 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
PubChem CID174319920
Molecular FormulaC41H57NO10
Molecular Weight723.90 g/mol
Exact Mass723.40
IUPAC NameN-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESCc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCC(=O)NC(C=O)C(C)(C)C)CC3)OC2=O)c(C)c1
InChIInChI=1S/C41H57NO10/c1-29-24-30(2)36(31(3)25-29)37-38(51-27-32-10-8-7-9-11-32)41(52-39(37)45)14-12-33(13-15-41)50-23-22-48-19-18-46-16-17-47-20-21-49-28-35(44)42-34(26-43)40(4,5)6/h7-11,24-26,33-34H,12-23,27-28H2,1-6H3,(H,42,44)
InChIKeyPWGXUUQNGFKXQK-UHFFFAOYSA-N
XLogP5.59
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.90
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide with MolForge

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Related Compounds

tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate
CID 170976170
formaldehyde;2-[2-[2-[2-[2-[2-[2-[[4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 170976469
2-[2-[2-[4-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid
CID 170976241
acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)
CID 170976076
4-hydroxy-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 59562788
(E)-3-[4-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethoxy]cyclohexyl]-3-phenylmethoxy-2-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 170976391
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
CID 161078914
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
2-[2-[2-[2-[4-[2-[2-[[(4S,7E)-7-hydroxy-9-oxo-8-(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydro-2H-oxonin-4-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid
CID 174321880
ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66793895
N-(3,3-dimethyl-1-oxobutan-2-yl)-2-(2-prop-2-ynoxyethoxy)acetamide
CID 163291725
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide (CID 174319920) is N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide is Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCOCCOCCOCC(=O)NC(C=O)C(C)(C)C)CC3)OC2=O)c(C)c1.
What is the InChIKey of N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is PWGXUUQNGFKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57NO10/c1-29-24-30(2)36(31(3)25-29)37-38(51-27-32-10-8-7-9-11-32)41(52-39(37)45)14-12-33(13-15-41)50-23-22-48-19-18-46-16-17-47-20-21-49-28-35(44)42-34(26-43)40(4,5)6/h7-11,24-26,33-34H,12-23,27-28H2,1-6H3,(H,42,44).
What are the key properties of N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide?
N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 723.90 g/mol, XLogP of 5.59, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[2-[2-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 174319920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).