[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C21H23NO5 — CID 9455619

IUPAC[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C21H23NO5/c1-15(23)22-13-16-7-9-17(10-8-16)19(24)14-27-21(25)12-11-18-5-3-4-6-20(18)26-2/h3-10H,11-14H2,1-2H3,(H,22,23)
InChIKeyQBWJFWISZZCZQK-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.69
Rot. Bonds9

About [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 9455619) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID9455619
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C21H23NO5/c1-15(23)22-13-16-7-9-17(10-8-16)19(24)14-27-21(25)12-11-18-5-3-4-6-20(18)26-2/h3-10H,11-14H2,1-2H3,(H,22,23)
InChIKeyQBWJFWISZZCZQK-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871049
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195526
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate
CID 7627427
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524255
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368657
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948693
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 9455751
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731450

Frequently Asked Questions

What is the IUPAC name of [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 9455619) is [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is QBWJFWISZZCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-15(23)22-13-16-7-9-17(10-8-16)19(24)14-27-21(25)12-11-18-5-3-4-6-20(18)26-2/h3-10H,11-14H2,1-2H3,(H,22,23).
What are the key properties of [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 369.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 9455619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).