methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate

C19H20N2O4 — CID 113176421

IUPACmethyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-4-8-16(9-5-13)20-18(23)12-21(14(2)22)17-10-6-15(7-11-17)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyIFPKNMQHLPFWQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.77
Rot. Bonds5

About methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate

methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 113176421) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
PubChem CID113176421
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-4-8-16(9-5-13)20-18(23)12-21(14(2)22)17-10-6-15(7-11-17)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyIFPKNMQHLPFWQK-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[acetyl-[3-(4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131524
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
methyl 3-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176551
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
methyl 3-[[2-[N-acetyl-4-(diethylamino)anilino]acetyl]amino]benzoate
CID 113176932
methyl 4-[acetyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176448

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate (CID 113176421) is methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)cc1.
What is the InChIKey of methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is IFPKNMQHLPFWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-4-8-16(9-5-13)20-18(23)12-21(14(2)22)17-10-6-15(7-11-17)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,23).
What are the key properties of methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate?
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).