propan-2-yl 3-[(2-phenylacetyl)amino]benzoate

C18H19NO3 — CID 23905172

IUPACpropan-2-yl 3-[(2-phenylacetyl)amino]benzoate
SMILESCC(C)OC(=O)c1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(21)15-9-6-10-16(12-15)19-17(20)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,20)
InChIKeyVJGALEDXKOFPCK-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.43
Rot. Bonds5

About propan-2-yl 3-[(2-phenylacetyl)amino]benzoate

propan-2-yl 3-[(2-phenylacetyl)amino]benzoate (PubChem CID 23905172) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is propan-2-yl 3-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(2-phenylacetyl)amino]benzoate
PubChem CID23905172
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namepropan-2-yl 3-[(2-phenylacetyl)amino]benzoate
SMILESCC(C)OC(=O)c1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(21)15-9-6-10-16(12-15)19-17(20)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,20)
InChIKeyVJGALEDXKOFPCK-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 3-[(2-phenylacetyl)amino]benzoate 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-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
propan-2-yl 3-(carbamothioylamino)benzoate
CID 82030676
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
propan-2-yl 3-[[2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 78228858
[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 42972459
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
CID 1279664
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of propan-2-yl 3-[(2-phenylacetyl)amino]benzoate (CID 23905172) is propan-2-yl 3-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for propan-2-yl 3-[(2-phenylacetyl)amino]benzoate is CC(C)OC(=O)c1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of propan-2-yl 3-[(2-phenylacetyl)amino]benzoate?
The InChIKey is VJGALEDXKOFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)22-18(21)15-9-6-10-16(12-15)19-17(20)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,20).
What are the key properties of propan-2-yl 3-[(2-phenylacetyl)amino]benzoate?
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 23905172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).