methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate

C19H22N2O3 — CID 109007805

IUPACmethyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H22N2O3/c1-4-14-8-5-7-13(2)18(14)21-17(22)12-20-16-10-6-9-15(11-16)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyWHUPINXIKVLUCC-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds6

About methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate

methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109007805) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
PubChem CID109007805
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H22N2O3/c1-4-14-8-5-7-13(2)18(14)21-17(22)12-20-16-10-6-9-15(11-16)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyWHUPINXIKVLUCC-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803868
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823992
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520885
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
methyl 3-[[(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-3-oxoprop-1-enyl]amino]benzoate
CID 108850959
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
CID 109008060
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate (CID 109007805) is methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate is CCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is WHUPINXIKVLUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-14-8-5-7-13(2)18(14)21-17(22)12-20-16-10-6-9-15(11-16)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate?
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.39, 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-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109007805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).