methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate

C19H20N2O5 — CID 9418842

IUPACmethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(12-17(22)20-15-5-4-6-16(11-15)25-2)18(23)13-7-9-14(10-8-13)19(24)26-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyBIFWPRDKHCRRIN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.19
Rot. Bonds6

About methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate

methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate (PubChem CID 9418842) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
PubChem CID9418842
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(12-17(22)20-15-5-4-6-16(11-15)25-2)18(23)13-7-9-14(10-8-13)19(24)26-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyBIFWPRDKHCRRIN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9161982
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 46409143
N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
CID 134057921
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate (CID 9418842) is methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
The InChIKey is BIFWPRDKHCRRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(12-17(22)20-15-5-4-6-16(11-15)25-2)18(23)13-7-9-14(10-8-13)19(24)26-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate?
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate is sourced from PubChem (CID 9418842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).