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

C19H21N3O4 — CID 109009936

IUPACethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-3-26-19(25)14-7-9-15(10-8-14)22-18(24)12-20-16-5-4-6-17(11-16)21-13(2)23/h4-11,20H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWATQOVUGUSMODK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.87
Rot. Bonds7

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

ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate (PubChem CID 109009936) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
PubChem CID109009936
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-3-26-19(25)14-7-9-15(10-8-14)22-18(24)12-20-16-5-4-6-17(11-16)21-13(2)23/h4-11,20H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWATQOVUGUSMODK-UHFFFAOYSA-N
XLogP2.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
methyl 4-[[2-(3-bromoanilino)acetyl]amino]benzoate
CID 603629

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate (CID 109009936) is ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate?
The InChIKey is WATQOVUGUSMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-26-19(25)14-7-9-15(10-8-14)22-18(24)12-20-16-5-4-6-17(11-16)21-13(2)23/h4-11,20H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate?
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109009936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).