methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate

C18H20N2O3 — CID 19661893

IUPACmethyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyGUDANERAHLBHAB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.94
Rot. Bonds6

About methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate

methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate (PubChem CID 19661893) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate
PubChem CID19661893
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyGUDANERAHLBHAB-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
ethyl 4-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361162
methyl 4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 30464552
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
methyl 4-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]benzoate
CID 56513890
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate (CID 19661893) is methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate is CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1.
What is the InChIKey of methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate?
The InChIKey is GUDANERAHLBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h4-12H,3,13H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(N-ethylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 19661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).