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

C21H25NO4 — CID 71820795

IUPAC[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2OC)cc1
InChIInChI=1S/C21H25NO4/c1-3-4-7-16-10-12-18(13-11-16)22-20(23)15-26-21(24)14-17-8-5-6-9-19(17)25-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyWNYYONOLQAPGEJ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.76
Rot. Bonds9

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

[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 71820795) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID71820795
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2OC)cc1
InChIInChI=1S/C21H25NO4/c1-3-4-7-16-10-12-18(13-11-16)22-20(23)15-26-21(24)14-17-8-5-6-9-19(17)25-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyWNYYONOLQAPGEJ-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2116755
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240
[2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702354
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 71820795) is [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is CCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2OC)cc1.
What is the InChIKey of [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is WNYYONOLQAPGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-4-7-16-10-12-18(13-11-16)22-20(23)15-26-21(24)14-17-8-5-6-9-19(17)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-methoxyphenyl)acetate?
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 71820795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).