ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate

C20H23NO4 — CID 113197630

IUPACethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-25-18(22)16-8-6-7-9-17(16)21-19(23)20(2,3)14-10-12-15(24-4)13-11-14/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeyFYVWZYPOJHRNAC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate

ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate (PubChem CID 113197630) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate
PubChem CID113197630
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-25-18(22)16-8-6-7-9-17(16)21-19(23)20(2,3)14-10-12-15(24-4)13-11-14/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeyFYVWZYPOJHRNAC-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13424427
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ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
ethyl 2-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]benzoate
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CID 4190428
ethyl 2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzoate
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ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270938
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
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CID 108967621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate (CID 113197630) is ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(C)(C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate?
The InChIKey is FYVWZYPOJHRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-25-18(22)16-8-6-7-9-17(16)21-19(23)20(2,3)14-10-12-15(24-4)13-11-14/h6-13H,5H2,1-4H3,(H,21,23).
What are the key properties of ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate?
ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 113197630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).