[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

C19H21NO3 — CID 71822771

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H21NO3/c1-13-5-4-6-16(9-13)11-19(22)23-12-18(21)20-17-8-7-14(2)15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyINYVRPKFBFRZBJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.34
Rot. Bonds5

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (PubChem CID 71822771) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
PubChem CID71822771
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H21NO3/c1-13-5-4-6-16(9-13)11-19(22)23-12-18(21)20-17-8-7-14(2)15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyINYVRPKFBFRZBJ-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
CID 71822824
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904878
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874560
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799163
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71822818

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (CID 71822771) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is Cc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The InChIKey is INYVRPKFBFRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-5-4-6-16(9-13)11-19(22)23-12-18(21)20-17-8-7-14(2)15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate has a molecular weight of 311.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is sourced from PubChem (CID 71822771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).