3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide

C17H20N2O2 — CID 43767621

IUPAC3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-15(16(9-11)21-3)12(2)19-14-6-4-5-13(10-14)17(18)20/h4-10,12,19H,1-3H3,(H2,18,20)
InChIKeyXCLZEXZRADABTE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds5

About 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide

3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide (PubChem CID 43767621) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
PubChem CID43767621
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-15(16(9-11)21-3)12(2)19-14-6-4-5-13(10-14)17(18)20/h4-10,12,19H,1-3H3,(H2,18,20)
InChIKeyXCLZEXZRADABTE-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
CID 103935912
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
CID 43744448
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide?
The IUPAC name of 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide (CID 43767621) is 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide is COc1cc(C)ccc1C(C)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide?
The InChIKey is XCLZEXZRADABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-15(16(9-11)21-3)12(2)19-14-6-4-5-13(10-14)17(18)20/h4-10,12,19H,1-3H3,(H2,18,20).
What are the key properties of 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide?
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide is sourced from PubChem (CID 43767621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).