(4-methoxyphenyl) 2-benzamidoacetate

C16H15NO4 — CID 23275662

IUPAC(4-methoxyphenyl) 2-benzamidoacetate
SMILESCOc1ccc(OC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-13-7-9-14(10-8-13)21-15(18)11-17-16(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyXMOYAFMDGFRGDX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.03
Rot. Bonds5

About (4-methoxyphenyl) 2-benzamidoacetate

(4-methoxyphenyl) 2-benzamidoacetate (PubChem CID 23275662) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-benzamidoacetate
PubChem CID23275662
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4-methoxyphenyl) 2-benzamidoacetate
SMILESCOc1ccc(OC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-13-7-9-14(10-8-13)21-15(18)11-17-16(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyXMOYAFMDGFRGDX-UHFFFAOYSA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-cyanophenyl) 2-benzamidoacetate
CID 23275633
(4-propan-2-ylphenyl) 2-[(3-methoxybenzoyl)amino]acetate
CID 110671065
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
bis(4-methoxyphenyl) propanedioate
CID 12000137
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
CID 2067592
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-benzamidoacetate?
The IUPAC name of (4-methoxyphenyl) 2-benzamidoacetate (CID 23275662) is (4-methoxyphenyl) 2-benzamidoacetate.
What is the SMILES notation for (4-methoxyphenyl) 2-benzamidoacetate?
The canonical SMILES for (4-methoxyphenyl) 2-benzamidoacetate is COc1ccc(OC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-benzamidoacetate?
The InChIKey is XMOYAFMDGFRGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-13-7-9-14(10-8-13)21-15(18)11-17-16(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of (4-methoxyphenyl) 2-benzamidoacetate?
(4-methoxyphenyl) 2-benzamidoacetate has a molecular weight of 285.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-benzamidoacetate is sourced from PubChem (CID 23275662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).