methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate

C20H22N2O4 — CID 113169158

IUPACmethyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-4-15-8-5-6-11-18(15)22(14(2)23)13-19(24)21-17-10-7-9-16(12-17)20(25)26-3/h5-12H,4,13H2,1-3H3,(H,21,24)
InChIKeyQSVVECGDZHCNEF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.03
Rot. Bonds6

About methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate

methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate (PubChem CID 113169158) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
PubChem CID113169158
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-4-15-8-5-6-11-18(15)22(14(2)23)13-19(24)21-17-10-7-9-16(12-17)20(25)26-3/h5-12H,4,13H2,1-3H3,(H,21,24)
InChIKeyQSVVECGDZHCNEF-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[acetyl-[2-(3-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 113180608
methyl 3-[[2-(N-acetyl-2,3-dimethylanilino)acetyl]amino]benzoate
CID 113168964
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
methyl 3-[[2-[N-acetyl-4-(diethylamino)anilino]acetyl]amino]benzoate
CID 113176932
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
methyl 3-[[2-(N-acetyl-4-propan-2-ylanilino)acetyl]amino]benzoate
CID 113169884
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
methyl 4-[3-(N-acetyl-2-ethylanilino)propanoylamino]benzoate
CID 113125293
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
N-(3-acetylphenyl)-2-(N-acetyl-2-propan-2-yloxyanilino)acetamide
CID 113174315

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate (CID 113169158) is methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate is CCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1)C(C)=O.
What is the InChIKey of methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate?
The InChIKey is QSVVECGDZHCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-15-8-5-6-11-18(15)22(14(2)23)13-19(24)21-17-10-7-9-16(12-17)20(25)26-3/h5-12H,4,13H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate?
methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 113169158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).