[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate

C22H21NO5 — CID 55323062

IUPAC[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
SMILESCOc1cccc(NC(=O)C(OC(=O)CCc2ccco2)c2ccccc2)c1
InChIInChI=1S/C22H21NO5/c1-26-19-10-5-9-17(15-19)23-22(25)21(16-7-3-2-4-8-16)28-20(24)13-12-18-11-6-14-27-18/h2-11,14-15,21H,12-13H2,1H3,(H,23,25)
InChIKeyAFCAMOONXSIALH-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.14
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate (PubChem CID 55323062) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
PubChem CID55323062
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
SMILESCOc1cccc(NC(=O)C(OC(=O)CCc2ccco2)c2ccccc2)c1
InChIInChI=1S/C22H21NO5/c1-26-19-10-5-9-17(15-19)23-22(25)21(16-7-3-2-4-8-16)28-20(24)13-12-18-11-6-14-27-18/h2-11,14-15,21H,12-13H2,1H3,(H,23,25)
InChIKeyAFCAMOONXSIALH-UHFFFAOYSA-N
XLogP4.14
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2342352
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
CID 8661214
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55427571
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 55385450
2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide
CID 17405425
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7981048
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18225273

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate (CID 55323062) is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate is COc1cccc(NC(=O)C(OC(=O)CCc2ccco2)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate?
The InChIKey is AFCAMOONXSIALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-19-10-5-9-17(15-19)23-22(25)21(16-7-3-2-4-8-16)28-20(24)13-12-18-11-6-14-27-18/h2-11,14-15,21H,12-13H2,1H3,(H,23,25).
What are the key properties of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate?
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate has a molecular weight of 379.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate is sourced from PubChem (CID 55323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).