ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate

C19H22N2O4 — CID 135014536

IUPACethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17(22)13-20-19(23)18(14-7-5-4-6-8-14)21-15-9-11-16(24-2)12-10-15/h4-12,18,21H,3,13H2,1-2H3,(H,20,23)
InChIKeyPWLFVULVRYECAY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.53
Rot. Bonds8

About ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate

ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate (PubChem CID 135014536) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate
PubChem CID135014536
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17(22)13-20-19(23)18(14-7-5-4-6-8-14)21-15-9-11-16(24-2)12-10-15/h4-12,18,21H,3,13H2,1-2H3,(H,20,23)
InChIKeyPWLFVULVRYECAY-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate (CID 135014536) is ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate is CCOC(=O)CNC(=O)C(Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate?
The InChIKey is PWLFVULVRYECAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-17(22)13-20-19(23)18(14-7-5-4-6-8-14)21-15-9-11-16(24-2)12-10-15/h4-12,18,21H,3,13H2,1-2H3,(H,20,23).
What are the key properties of ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate?
ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate has a molecular weight of 342.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyanilino)-2-phenylacetyl]amino]acetate is sourced from PubChem (CID 135014536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).