2-methylpropyl 3-benzamidobenzoate

C18H19NO3 — CID 691358

IUPAC2-methylpropyl 3-benzamidobenzoate
SMILESCC(C)COC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13(2)12-22-18(21)15-9-6-10-16(11-15)19-17(20)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyWRIWAXOEQQGSHE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.75
Rot. Bonds5

About 2-methylpropyl 3-benzamidobenzoate

2-methylpropyl 3-benzamidobenzoate (PubChem CID 691358) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-methylpropyl 3-benzamidobenzoate.

Molecular Properties

Compound Name2-methylpropyl 3-benzamidobenzoate
PubChem CID691358
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-methylpropyl 3-benzamidobenzoate
SMILESCC(C)COC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13(2)12-22-18(21)15-9-6-10-16(11-15)19-17(20)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyWRIWAXOEQQGSHE-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 3-benzamidobenzoate 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-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17259765
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
1-O-methyl 3-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 22571196
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
2-methylpropyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91733769
2-methylpropyl 3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate
CID 91699939
2-methylpropyl 3-aminobenzoate
CID 15914844
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-(3-benzamidobutanoylamino)benzoate
CID 46612606
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-benzamidobenzoate?
The IUPAC name of 2-methylpropyl 3-benzamidobenzoate (CID 691358) is 2-methylpropyl 3-benzamidobenzoate.
What is the SMILES notation for 2-methylpropyl 3-benzamidobenzoate?
The canonical SMILES for 2-methylpropyl 3-benzamidobenzoate is CC(C)COC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-methylpropyl 3-benzamidobenzoate?
The InChIKey is WRIWAXOEQQGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)12-22-18(21)15-9-6-10-16(11-15)19-17(20)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-methylpropyl 3-benzamidobenzoate?
2-methylpropyl 3-benzamidobenzoate has a molecular weight of 297.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-benzamidobenzoate is sourced from PubChem (CID 691358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).