propan-2-yl 4-benzamidobenzoate

C17H17NO3 — CID 902558

IUPACpropan-2-yl 4-benzamidobenzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(2)21-17(20)14-8-10-15(11-9-14)18-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)
InChIKeyQYHMIQPMEVRZSN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.50
Rot. Bonds4

About propan-2-yl 4-benzamidobenzoate

propan-2-yl 4-benzamidobenzoate (PubChem CID 902558) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is propan-2-yl 4-benzamidobenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-benzamidobenzoate
PubChem CID902558
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namepropan-2-yl 4-benzamidobenzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(2)21-17(20)14-8-10-15(11-9-14)18-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)
InChIKeyQYHMIQPMEVRZSN-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-benzamidobenzoate?
The IUPAC name of propan-2-yl 4-benzamidobenzoate (CID 902558) is propan-2-yl 4-benzamidobenzoate.
What is the SMILES notation for propan-2-yl 4-benzamidobenzoate?
The canonical SMILES for propan-2-yl 4-benzamidobenzoate is CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-benzamidobenzoate?
The InChIKey is QYHMIQPMEVRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(2)21-17(20)14-8-10-15(11-9-14)18-16(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19).
What are the key properties of propan-2-yl 4-benzamidobenzoate?
propan-2-yl 4-benzamidobenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-benzamidobenzoate is sourced from PubChem (CID 902558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).