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

C18H20N2O3 — CID 109007616

IUPACmethyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1NCC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C18H20N2O3/c1-3-13-7-4-5-10-16(13)19-12-17(21)20-15-9-6-8-14(11-15)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyDGUAHFMXKXTXDA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds6

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

methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate (PubChem CID 109007616) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
PubChem CID109007616
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1NCC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C18H20N2O3/c1-3-13-7-4-5-10-16(13)19-12-17(21)20-15-9-6-8-14(11-15)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyDGUAHFMXKXTXDA-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
CID 24662266
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[[4-(2-ethylanilino)-4-oxobutan-2-yl]amino]benzoate
CID 75476806
ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate
CID 108956352
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate (CID 109007616) is methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate is CCc1ccccc1NCC(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The InChIKey is DGUAHFMXKXTXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13-7-4-5-10-16(13)19-12-17(21)20-15-9-6-8-14(11-15)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate?
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109007616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).