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

C18H19NO3 — CID 113098824

IUPACethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)15-7-9-16(10-8-15)19-17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyRAQUPAOHNGRVQB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds5

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

ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate (PubChem CID 113098824) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
PubChem CID113098824
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)15-7-9-16(10-8-15)19-17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyRAQUPAOHNGRVQB-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062320
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate (CID 113098824) is ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The InChIKey is RAQUPAOHNGRVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-22-18(21)15-7-9-16(10-8-15)19-17(20)12-14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 113098824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).