[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate

C18H19NO4 — CID 2519990

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H19NO4/c1-12-8-9-13(2)14(10-12)18(21)23-11-17(20)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyKSIPXXMSVNXVGY-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.11
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2519990) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2519990
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H19NO4/c1-12-8-9-13(2)14(10-12)18(21)23-11-17(20)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyKSIPXXMSVNXVGY-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-(2-methoxyanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212928
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
[2-(2-iodoanilino)-2-oxoethyl] 2-methoxy-5-methylbenzoate
CID 35222238
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylbenzoate
CID 2520046
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7977297
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2519990) is [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate is COc1ccccc1NC(=O)COC(=O)c1cc(C)ccc1C.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is KSIPXXMSVNXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-8-9-13(2)14(10-12)18(21)23-11-17(20)19-15-6-4-5-7-16(15)22-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate 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-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2519990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).