[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate

C17H18N2O3 — CID 2542886

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-7-9-13(10-8-12)19-16(20)11-22-17(21)14-5-3-4-6-15(14)18-2/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyODMXGFKHKKMKPF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.83
Rot. Bonds5

About [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate

[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 2542886) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID2542886
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-7-9-13(10-8-12)19-16(20)11-22-17(21)14-5-3-4-6-15(14)18-2/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyODMXGFKHKKMKPF-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542848
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542838
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7373054
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7372998
(2-anilino-2-oxoethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106297

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate (CID 2542886) is [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is ODMXGFKHKKMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-7-9-13(10-8-12)19-16(20)11-22-17(21)14-5-3-4-6-15(14)18-2/h3-10,18H,11H2,1-2H3,(H,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 298.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 2542886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).