3-[1-(4-ethylphenyl)ethylamino]benzamide

C17H20N2O — CID 43202914

IUPAC3-[1-(4-ethylphenyl)ethylamino]benzamide
SMILESCCc1ccc(C(C)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-7-9-14(10-8-13)12(2)19-16-6-4-5-15(11-16)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20)
InChIKeyLTBNTSGLYBASDK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.52
Rot. Bonds5

About 3-[1-(4-ethylphenyl)ethylamino]benzamide

3-[1-(4-ethylphenyl)ethylamino]benzamide (PubChem CID 43202914) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)ethylamino]benzamide
PubChem CID43202914
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[1-(4-ethylphenyl)ethylamino]benzamide
SMILESCCc1ccc(C(C)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-7-9-14(10-8-13)12(2)19-16-6-4-5-15(11-16)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20)
InChIKeyLTBNTSGLYBASDK-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
ethyl 3-[1-(4-bromophenyl)ethylamino]benzoate
CID 43321951
ethyl 3-[1-(4-fluorophenyl)ethylamino]benzoate
CID 43217241
3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide
CID 94656549
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
3-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 43139392
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)ethylamino]benzamide?
The IUPAC name of 3-[1-(4-ethylphenyl)ethylamino]benzamide (CID 43202914) is 3-[1-(4-ethylphenyl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(4-ethylphenyl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(4-ethylphenyl)ethylamino]benzamide is CCc1ccc(C(C)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)ethylamino]benzamide?
The InChIKey is LTBNTSGLYBASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13-7-9-14(10-8-13)12(2)19-16-6-4-5-15(11-16)17(18)20/h4-12,19H,3H2,1-2H3,(H2,18,20).
What are the key properties of 3-[1-(4-ethylphenyl)ethylamino]benzamide?
3-[1-(4-ethylphenyl)ethylamino]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)ethylamino]benzamide is sourced from PubChem (CID 43202914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).