4-[1-(2-ethoxyphenyl)ethylamino]benzamide

C17H20N2O2 — CID 43193018

IUPAC4-[1-(2-ethoxyphenyl)ethylamino]benzamide
SMILESCCOc1ccccc1C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-7-5-4-6-15(16)12(2)19-14-10-8-13(9-11-14)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20)
InChIKeyCWRQMAKEWQQUSW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.36
Rot. Bonds6

About 4-[1-(2-ethoxyphenyl)ethylamino]benzamide

4-[1-(2-ethoxyphenyl)ethylamino]benzamide (PubChem CID 43193018) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[1-(2-ethoxyphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-[1-(2-ethoxyphenyl)ethylamino]benzamide
PubChem CID43193018
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[1-(2-ethoxyphenyl)ethylamino]benzamide
SMILESCCOc1ccccc1C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-7-5-4-6-15(16)12(2)19-14-10-8-13(9-11-14)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20)
InChIKeyCWRQMAKEWQQUSW-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide (CID 43193018) is 4-[1-(2-ethoxyphenyl)ethylamino]benzamide.
What is the SMILES notation for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The canonical SMILES for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide is CCOc1ccccc1C(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
The InChIKey is CWRQMAKEWQQUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-16-7-5-4-6-15(16)12(2)19-14-10-8-13(9-11-14)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20).
What are the key properties of 4-[1-(2-ethoxyphenyl)ethylamino]benzamide?
4-[1-(2-ethoxyphenyl)ethylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 43193018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).