[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate

C18H19NO4 — CID 2715032

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H19NO4/c1-12-8-13(2)10-14(9-12)19-17(20)11-23-18(21)15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXJYHPSXKFUFDAH-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.11
Rot. Bonds5

About [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2715032) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2715032
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H19NO4/c1-12-8-13(2)10-14(9-12)19-17(20)11-23-18(21)15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXJYHPSXKFUFDAH-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2-(3,5-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505497
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624378
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 42979686
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564684
[2-(3,5-dimethylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2615434
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2349892

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate (CID 2715032) is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is XJYHPSXKFUFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-8-13(2)10-14(9-12)19-17(20)11-23-18(21)15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2715032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).