ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate

C19H21NO3 — CID 28634215

IUPACethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1C
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)16-6-5-7-17(14(16)3)20-18(21)12-15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyCTADADOZHHEQEW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds5

About ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate

ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate (PubChem CID 28634215) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
PubChem CID28634215
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1C
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)16-6-5-7-17(14(16)3)20-18(21)12-15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyCTADADOZHHEQEW-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
CID 100717665
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
CID 39982679
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
ethyl 3-[3-(N-ethyl-4-methylanilino)propylcarbamothioylamino]-2-methylbenzoate
CID 100738591
ethyl 3-[(2-chlorophenyl)methylcarbamothioylamino]-2-methylbenzoate
CID 100606790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate (CID 28634215) is ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1C.
What is the InChIKey of ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate?
The InChIKey is CTADADOZHHEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-23-19(22)16-6-5-7-17(14(16)3)20-18(21)12-15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate?
ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 28634215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).