(4-ethoxyanilino) acetate

C10H13NO3 — CID 71333792

IUPAC(4-ethoxyanilino) acetate
SMILESCCOc1ccc(NOC(C)=O)cc1
InChIInChI=1S/C10H13NO3/c1-3-13-10-6-4-9(5-7-10)11-14-8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyOHGNHIFJIRJBBF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.98
Rot. Bonds4

About (4-ethoxyanilino) acetate

(4-ethoxyanilino) acetate (PubChem CID 71333792) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4-ethoxyanilino) acetate.

Molecular Properties

Compound Name(4-ethoxyanilino) acetate
PubChem CID71333792
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(4-ethoxyanilino) acetate
SMILESCCOc1ccc(NOC(C)=O)cc1
InChIInChI=1S/C10H13NO3/c1-3-13-10-6-4-9(5-7-10)11-14-8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyOHGNHIFJIRJBBF-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyanilino) 3-oxobutanoate
CID 88788821
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
CID 619853
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyanilino) acetate?
The IUPAC name of (4-ethoxyanilino) acetate (CID 71333792) is (4-ethoxyanilino) acetate.
What is the SMILES notation for (4-ethoxyanilino) acetate?
The canonical SMILES for (4-ethoxyanilino) acetate is CCOc1ccc(NOC(C)=O)cc1.
What is the InChIKey of (4-ethoxyanilino) acetate?
The InChIKey is OHGNHIFJIRJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-13-10-6-4-9(5-7-10)11-14-8(2)12/h4-7,11H,3H2,1-2H3.
What are the key properties of (4-ethoxyanilino) acetate?
(4-ethoxyanilino) acetate has a molecular weight of 195.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyanilino) acetate is sourced from PubChem (CID 71333792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).