[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

C19H19NO4 — CID 2336326

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(2)17(9-12)19(23)24-11-18(22)20-16-6-4-5-15(10-16)14(3)21/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNDOVIUISVJDQGG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.30
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2336326) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2336326
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(2)17(9-12)19(23)24-11-18(22)20-16-6-4-5-15(10-16)14(3)21/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNDOVIUISVJDQGG-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803821
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-acetylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950588
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520076
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2336326) is [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is CC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is NDOVIUISVJDQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-7-8-13(2)17(9-12)19(23)24-11-18(22)20-16-6-4-5-15(10-16)14(3)21/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2336326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).