[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate

C17H17NO3 — CID 2336314

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13-8-6-7-11-15(13)17(20)21-12-16(19)18(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyUBNTVPXBFRJFTI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.81
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate

[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate (PubChem CID 2336314) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate
PubChem CID2336314
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13-8-6-7-11-15(13)17(20)21-12-16(19)18(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyUBNTVPXBFRJFTI-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate (CID 2336314) is [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)N(C)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate?
The InChIKey is UBNTVPXBFRJFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-8-6-7-11-15(13)17(20)21-12-16(19)18(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate?
[2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 2336314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).