bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide

C28H33NO8 — CID 158827851

IUPACbis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide
SMILESCCC(CC)(CCc1ccc(Oc2ccc(C(=O)CCC(C)=O)cc2)cc1)NC(C)=O.O=C=O.O=C=O
InChIInChI=1S/C26H33NO4.2CO2/c1-5-26(6-2,27-20(4)29)18-17-21-8-12-23(13-9-21)31-24-14-10-22(11-15-24)25(30)16-7-19(3)28;2*2-1-3/h8-15H,5-7,16-18H2,1-4H3,(H,27,29);;
InChIKeyIWQYWXSUXSMTGQ-UHFFFAOYSA-N
MW511.57 g/mol
LogP4.49
Rot. Bonds12

About bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide

bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide (PubChem CID 158827851) has the molecular formula C28H33NO8 and a molecular weight of 511.57 g/mol. Its IUPAC name is bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide.

Molecular Properties

Compound Namebis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide
PubChem CID158827851
Molecular FormulaC28H33NO8
Molecular Weight511.57 g/mol
Exact Mass511.22
IUPAC Namebis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide
SMILESCCC(CC)(CCc1ccc(Oc2ccc(C(=O)CCC(C)=O)cc2)cc1)NC(C)=O.O=C=O.O=C=O
InChIInChI=1S/C26H33NO4.2CO2/c1-5-26(6-2,27-20(4)29)18-17-21-8-12-23(13-9-21)31-24-14-10-22(11-15-24)25(30)16-7-19(3)28;2*2-1-3/h8-15H,5-7,16-18H2,1-4H3,(H,27,29);;
InChIKeyIWQYWXSUXSMTGQ-UHFFFAOYSA-N
XLogP4.49
TPSA140.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(5-methylfuran-2-yl)phenoxy]phenyl]pentan-3-yl]acetamide
CID 161022054
bis(carbon dioxide);N-[3-ethyl-1-oxo-1-[4-(4-pyrimidin-2-ylphenoxy)phenyl]pentan-3-yl]acetamide
CID 160985031
diethyl 2-acetamido-2-[2-[4-[4-(2-butanoyloxyacetyl)phenoxy]phenyl]ethyl]propanedioate
CID 71204378
[2-acetamido-2-(acetyloxymethyl)-4-[4-(5-phenylpentanoyl)phenyl]butyl] acetate;N-[1-hydroxy-2-(hydroxymethyl)-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
CID 160568930
[2-acetamido-2-(acetyloxymethyl)-4-(4-octanoylphenyl)butyl] acetate;[2-acetamido-2-(acetyloxymethyl)-4-phenylbutyl] acetate;diiodovanadium;molecular iodine
CID 165099621
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
CID 15516680
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
[2-acetamido-2-(acetyloxymethyl)-4-[4-(4-phenylbutyl)phenyl]butyl] acetate
CID 143349457
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
CID 146168916
N-[3-(aminomethyl)pentan-3-yl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119569744

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide?
The IUPAC name of bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide (CID 158827851) is bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide.
What is the SMILES notation for bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide?
The canonical SMILES for bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide is CCC(CC)(CCc1ccc(Oc2ccc(C(=O)CCC(C)=O)cc2)cc1)NC(C)=O.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide?
The InChIKey is IWQYWXSUXSMTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4.2CO2/c1-5-26(6-2,27-20(4)29)18-17-21-8-12-23(13-9-21)31-24-14-10-22(11-15-24)25(30)16-7-19(3)28;2*2-1-3/h8-15H,5-7,16-18H2,1-4H3,(H,27,29);;.
What are the key properties of bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide?
bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide has a molecular weight of 511.57 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide is sourced from PubChem (CID 158827851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).