[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate

C19H21NO3 — CID 724454

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)20-18(21)13-23-19(22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDPSQHINOXUTXLD-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.42
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 724454) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate
PubChem CID724454
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)20-18(21)13-23-19(22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDPSQHINOXUTXLD-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate (CID 724454) is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate is Cc1cccc(NC(=O)COC(=O)CCc2ccccc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is DPSQHINOXUTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)20-18(21)13-23-19(22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 311.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 724454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).