methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate

C19H20N2O5 — CID 113176144

IUPACmethyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)Nc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C19H20N2O5/c1-13(22)21(17-10-5-4-9-16(17)19(24)26-3)12-18(23)20-14-7-6-8-15(11-14)25-2/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyOKIGTLAJWCPFBL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.47
Rot. Bonds6

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

methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 113176144) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID113176144
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)Nc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C19H20N2O5/c1-13(22)21(17-10-5-4-9-16(17)19(24)26-3)12-18(23)20-14-7-6-8-15(11-14)25-2/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyOKIGTLAJWCPFBL-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[acetyl-[2-(3-methoxyanilino)-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 2-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176131
methyl 2-[acetyl-[2-(3,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 113176174
ethyl 2-[acetyl-[2-(3-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 113180608
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113171944
methyl 2-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176183
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
methyl 2-[acetyl-[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176130
methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
CID 113169158
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate (CID 113176144) is methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1N(CC(=O)Nc1cccc(OC)c1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is OKIGTLAJWCPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(22)21(17-10-5-4-9-16(17)19(24)26-3)12-18(23)20-14-7-6-8-15(11-14)25-2/h4-11H,12H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate?
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).