methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate

C19H20N2O5 — CID 7764243

IUPACmethyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H20N2O5/c1-21(2)18(23)13-8-10-14(11-9-13)20-17(22)12-26-16-7-5-4-6-15(16)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyDTCMBANGKGIMES-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate

methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate (PubChem CID 7764243) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
PubChem CID7764243
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H20N2O5/c1-21(2)18(23)13-8-10-14(11-9-13)20-17(22)12-26-16-7-5-4-6-15(16)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyDTCMBANGKGIMES-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

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Related Compounds

4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498662
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17231564
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 71864680
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658714
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 2619648
methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate
CID 19371200
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate (CID 7764243) is methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The InChIKey is DTCMBANGKGIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(2)18(23)13-8-10-14(11-9-13)20-17(22)12-26-16-7-5-4-6-15(16)19(24)25-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]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 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7764243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).