[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate

C19H19NO5 — CID 2563639

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H19NO5/c1-12-8-9-14(10-13(12)2)18(22)25-11-17(21)20-16-7-5-4-6-15(16)19(23)24-3/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyVJXYBYSPLPUQTE-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.89
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 2563639) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID2563639
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H19NO5/c1-12-8-9-14(10-13(12)2)18(22)25-11-17(21)20-16-7-5-4-6-15(16)19(23)24-3/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyVJXYBYSPLPUQTE-UHFFFAOYSA-N
XLogP2.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-acetylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17419624
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
ethyl 2-[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7885385
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate (CID 2563639) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is VJXYBYSPLPUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-8-9-14(10-13(12)2)18(22)25-11-17(21)20-16-7-5-4-6-15(16)19(23)24-3/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 341.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 2563639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).