[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate

C25H29NO7 — CID 55305387

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(CC(=O)OCC)c2ccccc2)cc1
InChIInChI=1S/C25H29NO7/c1-3-16-32-21-12-10-19(11-13-21)22(27)14-15-24(29)33-18-23(28)26(17-25(30)31-4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3
InChIKeyXDSCOKNMJWEPEJ-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.58
Rot. Bonds13

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate (PubChem CID 55305387) has the molecular formula C25H29NO7 and a molecular weight of 455.51 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
PubChem CID55305387
Molecular FormulaC25H29NO7
Molecular Weight455.51 g/mol
Exact Mass455.19
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(CC(=O)OCC)c2ccccc2)cc1
InChIInChI=1S/C25H29NO7/c1-3-16-32-21-12-10-19(11-13-21)22(27)14-15-24(29)33-18-23(28)26(17-25(30)31-4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3
InChIKeyXDSCOKNMJWEPEJ-UHFFFAOYSA-N
XLogP3.58
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
ethyl 4-(4-pentanoylphenoxy)butanoate
CID 68805666
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2367156
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946

Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate (CID 55305387) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate is CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(CC(=O)OCC)c2ccccc2)cc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The InChIKey is XDSCOKNMJWEPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO7/c1-3-16-32-21-12-10-19(11-13-21)22(27)14-15-24(29)33-18-23(28)26(17-25(30)31-4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3.
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate has a molecular weight of 455.51 g/mol, XLogP of 3.58, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate is sourced from PubChem (CID 55305387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).