methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate

C18H18N2O4 — CID 44531037

IUPACmethyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate
SMILESCNC(=O)C(NC(=O)c1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-19-17(22)15(12-8-4-3-5-9-12)20-16(21)13-10-6-7-11-14(13)18(23)24-2/h3-11,15H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBFIKVMXPUMUTCG-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate

methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate (PubChem CID 44531037) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate
PubChem CID44531037
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate
SMILESCNC(=O)C(NC(=O)c1ccccc1C(=O)OC)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-19-17(22)15(12-8-4-3-5-9-12)20-16(21)13-10-6-7-11-14(13)18(23)24-2/h3-11,15H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBFIKVMXPUMUTCG-UHFFFAOYSA-N
XLogP1.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate 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 methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate (CID 44531037) is methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate is CNC(=O)C(NC(=O)c1ccccc1C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate?
The InChIKey is BFIKVMXPUMUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-19-17(22)15(12-8-4-3-5-9-12)20-16(21)13-10-6-7-11-14(13)18(23)24-2/h3-11,15H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate?
methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate has a molecular weight of 326.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 44531037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).