methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate

C19H21NO3 — CID 36776245

IUPACmethyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C19H21NO3/c1-14-5-3-4-6-17(14)13-18(21)20-12-11-15-7-9-16(10-8-15)19(22)23-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyVMYHXRTUFHYVOA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.68
Rot. Bonds6

About methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate

methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate (PubChem CID 36776245) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
PubChem CID36776245
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C19H21NO3/c1-14-5-3-4-6-17(14)13-18(21)20-12-11-15-7-9-16(10-8-15)19(22)23-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyVMYHXRTUFHYVOA-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 4-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111360610
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210
methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
CID 11233903
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate (CID 36776245) is methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)Cc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate?
The InChIKey is VMYHXRTUFHYVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-5-3-4-6-17(14)13-18(21)20-12-11-15-7-9-16(10-8-15)19(22)23-2/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate?
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate has a molecular weight of 311.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate is sourced from PubChem (CID 36776245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).