[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C21H25NO5 — CID 2116755

IUPAC[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCCCCc1ccc(NC(=O)COC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C21H25NO5/c1-3-4-7-16-10-12-17(13-11-16)22-20(23)14-27-21(24)15-26-19-9-6-5-8-18(19)25-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyXYXXWUQYUGKHKY-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.60
Rot. Bonds10

About [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 2116755) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID2116755
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCCCCc1ccc(NC(=O)COC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C21H25NO5/c1-3-4-7-16-10-12-17(13-11-16)22-20(23)14-27-21(24)15-26-19-9-6-5-8-18(19)25-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyXYXXWUQYUGKHKY-UHFFFAOYSA-N
XLogP3.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 71820795
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 2116755) is [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is CCCCc1ccc(NC(=O)COC(=O)COc2ccccc2OC)cc1.
What is the InChIKey of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is XYXXWUQYUGKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-4-7-16-10-12-17(13-11-16)22-20(23)14-27-21(24)15-26-19-9-6-5-8-18(19)25-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23).
What are the key properties of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 2116755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).