propan-2-yl 4-(2-carbamoylphenyl)benzoate

C17H17NO3 — CID 70179260

IUPACpropan-2-yl 4-(2-carbamoylphenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17NO3/c1-11(2)21-17(20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(18)19/h3-11H,1-2H3,(H2,18,19)
InChIKeyHTOISAQCWHWJRP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.02
Rot. Bonds4

About propan-2-yl 4-(2-carbamoylphenyl)benzoate

propan-2-yl 4-(2-carbamoylphenyl)benzoate (PubChem CID 70179260) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is propan-2-yl 4-(2-carbamoylphenyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-carbamoylphenyl)benzoate
PubChem CID70179260
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namepropan-2-yl 4-(2-carbamoylphenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17NO3/c1-11(2)21-17(20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(18)19/h3-11H,1-2H3,(H2,18,19)
InChIKeyHTOISAQCWHWJRP-UHFFFAOYSA-N
XLogP3.02
TPSA69.39 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
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2-(4-carbamimidoylphenyl)benzamide
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2-(4-sulfanylphenyl)benzamide
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CID 147929100
propan-2-yl 4-[2-(1H-benzimidazol-2-yl)phenyl]benzoate
CID 168554029
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
CID 154075850
CID 154075850
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103643
[(2S)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103644

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-carbamoylphenyl)benzoate?
The IUPAC name of propan-2-yl 4-(2-carbamoylphenyl)benzoate (CID 70179260) is propan-2-yl 4-(2-carbamoylphenyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-carbamoylphenyl)benzoate?
The canonical SMILES for propan-2-yl 4-(2-carbamoylphenyl)benzoate is CC(C)OC(=O)c1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of propan-2-yl 4-(2-carbamoylphenyl)benzoate?
The InChIKey is HTOISAQCWHWJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(2)21-17(20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(18)19/h3-11H,1-2H3,(H2,18,19).
What are the key properties of propan-2-yl 4-(2-carbamoylphenyl)benzoate?
propan-2-yl 4-(2-carbamoylphenyl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.02, 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-(2-carbamoylphenyl)benzoate is sourced from PubChem (CID 70179260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).