[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

C19H20N2O5 — CID 8523970

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCOc1cccc(NC(=O)COC(=O)CNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O5/c1-25-16-9-5-8-15(11-16)21-18(23)13-26-19(24)12-20-17(22)10-14-6-3-2-4-7-14/h2-9,11H,10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySDTKFXXLVDNNPE-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.54
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8523970) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID8523970
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCOc1cccc(NC(=O)COC(=O)CNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O5/c1-25-16-9-5-8-15(11-16)21-18(23)13-26-19(24)12-20-17(22)10-14-6-3-2-4-7-14/h2-9,11H,10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySDTKFXXLVDNNPE-UHFFFAOYSA-N
XLogP1.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(3-methoxyanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991685
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (CID 8523970) is [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is COc1cccc(NC(=O)COC(=O)CNC(=O)Cc2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is SDTKFXXLVDNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-16-9-5-8-15(11-16)21-18(23)13-26-19(24)12-20-17(22)10-14-6-3-2-4-7-14/h2-9,11H,10,12-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 356.38 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8523970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).