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

C23H27NO7 — CID 55306615

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCOC(=O)CN(C(=O)COC(=O)CCCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H27NO7/c1-3-29-23(27)16-24(18-8-5-4-6-9-18)21(25)17-31-22(26)10-7-15-30-20-13-11-19(28-2)12-14-20/h4-6,8-9,11-14H,3,7,10,15-17H2,1-2H3
InChIKeyJCTROEZTPUGHPQ-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.99
Rot. Bonds12

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

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 55306615) has the molecular formula C23H27NO7 and a molecular weight of 429.47 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID55306615
Molecular FormulaC23H27NO7
Molecular Weight429.47 g/mol
Exact Mass429.18
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCOC(=O)CN(C(=O)COC(=O)CCCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H27NO7/c1-3-29-23(27)16-24(18-8-5-4-6-9-18)21(25)17-31-22(26)10-7-15-30-20-13-11-19(28-2)12-14-20/h4-6,8-9,11-14H,3,7,10,15-17H2,1-2H3
InChIKeyJCTROEZTPUGHPQ-UHFFFAOYSA-N
XLogP2.99
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55305387
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29142245
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043

Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (CID 55306615) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is CCOC(=O)CN(C(=O)COC(=O)CCCOc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is JCTROEZTPUGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO7/c1-3-29-23(27)16-24(18-8-5-4-6-9-18)21(25)17-31-22(26)10-7-15-30-20-13-11-19(28-2)12-14-20/h4-6,8-9,11-14H,3,7,10,15-17H2,1-2H3.
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 429.47 g/mol, XLogP of 2.99, 12 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-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 55306615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).