[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

C22H25NO5 — CID 7235533

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H25NO5/c1-12-13(2)15(4)20(16(5)14(12)3)22(26)28-11-19(24)23-18-10-8-7-9-17(18)21(25)27-6/h7-10H,11H2,1-6H3,(H,23,24)
InChIKeyMADOVAZNXBPHDL-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.81
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (PubChem CID 7235533) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
PubChem CID7235533
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H25NO5/c1-12-13(2)15(4)20(16(5)14(12)3)22(26)28-11-19(24)23-18-10-8-7-9-17(18)21(25)27-6/h7-10H,11H2,1-6H3,(H,23,24)
InChIKeyMADOVAZNXBPHDL-UHFFFAOYSA-N
XLogP3.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate with MolForge

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (CID 7235533) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The InChIKey is MADOVAZNXBPHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-12-13(2)15(4)20(16(5)14(12)3)22(26)28-11-19(24)23-18-10-8-7-9-17(18)21(25)27-6/h7-10H,11H2,1-6H3,(H,23,24).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate has a molecular weight of 383.44 g/mol, XLogP of 3.81, 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] 2,3,4,5,6-pentamethylbenzoate is sourced from PubChem (CID 7235533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).