3-amino-4-(4-ethoxyphenoxy)benzamide

C15H16N2O3 — CID 43448507

IUPAC3-amino-4-(4-ethoxyphenoxy)benzamide
SMILESCCOc1ccc(Oc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C15H16N2O3/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(15(17)18)9-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18)
InChIKeyBSTVHCZXDXETSO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-4-(4-ethoxyphenoxy)benzamide

3-amino-4-(4-ethoxyphenoxy)benzamide (PubChem CID 43448507) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-amino-4-(4-ethoxyphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-ethoxyphenoxy)benzamide
PubChem CID43448507
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-amino-4-(4-ethoxyphenoxy)benzamide
SMILESCCOc1ccc(Oc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C15H16N2O3/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(15(17)18)9-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18)
InChIKeyBSTVHCZXDXETSO-UHFFFAOYSA-N
XLogP2.56
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(4-butan-2-ylphenoxy)benzamide
CID 107663745
3-amino-4-butoxybenzamide
CID 43448596
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
4-(4-ethoxyphenyl)benzamide
CID 163572533
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
3-amino-4-(fluoromethoxy)benzamide
CID 90933314

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-ethoxyphenoxy)benzamide?
The IUPAC name of 3-amino-4-(4-ethoxyphenoxy)benzamide (CID 43448507) is 3-amino-4-(4-ethoxyphenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(4-ethoxyphenoxy)benzamide?
The canonical SMILES for 3-amino-4-(4-ethoxyphenoxy)benzamide is CCOc1ccc(Oc2ccc(C(N)=O)cc2N)cc1.
What is the InChIKey of 3-amino-4-(4-ethoxyphenoxy)benzamide?
The InChIKey is BSTVHCZXDXETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(15(17)18)9-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-4-(4-ethoxyphenoxy)benzamide?
3-amino-4-(4-ethoxyphenoxy)benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethoxyphenoxy)benzamide is sourced from PubChem (CID 43448507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).