3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide

C18H20N2O3 — CID 51108003

IUPAC3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1cccc(OCC(=O)NCCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-4-2-7-16(10-13)23-12-17(21)20-9-8-14-5-3-6-15(11-14)18(19)22/h2-7,10-11H,8-9,12H2,1H3,(H2,19,22)(H,20,21)
InChIKeyZOOIKARQXPHNAU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.83
Rot. Bonds7

About 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide

3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 51108003) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID51108003
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1cccc(OCC(=O)NCCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-4-2-7-16(10-13)23-12-17(21)20-9-8-14-5-3-6-15(11-14)18(19)22/h2-7,10-11H,8-9,12H2,1H3,(H2,19,22)(H,20,21)
InChIKeyZOOIKARQXPHNAU-UHFFFAOYSA-N
XLogP1.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide (CID 51108003) is 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide is Cc1cccc(OCC(=O)NCCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is ZOOIKARQXPHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-2-7-16(10-13)23-12-17(21)20-9-8-14-5-3-6-15(11-14)18(19)22/h2-7,10-11H,8-9,12H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide?
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 51108003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).