[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate

C16H15NO4 — CID 2427068

IUPAC[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
SMILESCNC(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-17-15(18)11-20-16(19)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyQVDUEKMRNNVNQG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.38
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate

[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 2427068) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
PubChem CID2427068
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
SMILESCNC(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-17-15(18)11-20-16(19)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyQVDUEKMRNNVNQG-UHFFFAOYSA-N
XLogP2.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate with MolForge

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

Launch Full Analysis

Related Compounds

(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
CID 16521982
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-phenoxybenzoate
CID 16521998
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenoxybenzoate
CID 9081631
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
CID 7985162
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511356
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 17409284
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate (CID 2427068) is [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate is CNC(=O)COC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate?
The InChIKey is QVDUEKMRNNVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17-15(18)11-20-16(19)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate?
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate is sourced from PubChem (CID 2427068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).