(3-acetamidophenyl) 3-ethoxybenzoate

C17H17NO4 — CID 780025

IUPAC(3-acetamidophenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H17NO4/c1-3-21-15-8-4-6-13(10-15)17(20)22-16-9-5-7-14(11-16)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyUCYHTVHSSWFGLJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.26
Rot. Bonds5

About (3-acetamidophenyl) 3-ethoxybenzoate

(3-acetamidophenyl) 3-ethoxybenzoate (PubChem CID 780025) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3-acetamidophenyl) 3-ethoxybenzoate.

Molecular Properties

Compound Name(3-acetamidophenyl) 3-ethoxybenzoate
PubChem CID780025
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(3-acetamidophenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H17NO4/c1-3-21-15-8-4-6-13(10-15)17(20)22-16-9-5-7-14(11-16)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyUCYHTVHSSWFGLJ-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.26
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

(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
(3-acetamidophenyl) 3-cyanobenzoate
CID 8874059
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
methyl 3-ethoxybenzoate
CID 3267781
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
(3-acetamidophenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 3985890
ethyl 3-acetamidobenzoate
CID 700589
[3-(propanoylamino)phenyl] 3-methylbenzoate
CID 17073233
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl) 3-ethoxybenzoate?
The IUPAC name of (3-acetamidophenyl) 3-ethoxybenzoate (CID 780025) is (3-acetamidophenyl) 3-ethoxybenzoate.
What is the SMILES notation for (3-acetamidophenyl) 3-ethoxybenzoate?
The canonical SMILES for (3-acetamidophenyl) 3-ethoxybenzoate is CCOc1cccc(C(=O)Oc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of (3-acetamidophenyl) 3-ethoxybenzoate?
The InChIKey is UCYHTVHSSWFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-21-15-8-4-6-13(10-15)17(20)22-16-9-5-7-14(11-16)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of (3-acetamidophenyl) 3-ethoxybenzoate?
(3-acetamidophenyl) 3-ethoxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl) 3-ethoxybenzoate is sourced from PubChem (CID 780025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).