(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate

C18H19NO3 — CID 7472995

IUPAC(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO3/c1-12-9-13(2)17(14(3)10-12)18(21)22-11-16(20)19-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyVLLYQUSRGQDCPX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.41
Rot. Bonds4

About (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate

(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate (PubChem CID 7472995) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
PubChem CID7472995
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO3/c1-12-9-13(2)17(14(3)10-12)18(21)22-11-16(20)19-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyVLLYQUSRGQDCPX-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472999
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7473058
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
(2-anilino-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981429
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
2-O-[2-(3,5-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505497
(2-anilino-2-oxoethyl) 3,5-ditert-butylbenzoate
CID 2334500
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate (CID 7472995) is (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate?
The InChIKey is VLLYQUSRGQDCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-9-13(2)17(14(3)10-12)18(21)22-11-16(20)19-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate?
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate has a molecular weight of 297.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate is sourced from PubChem (CID 7472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).