2-phenylethyl 2-acetamidobenzoate

C17H17NO3 — CID 150228635

IUPAC2-phenylethyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(19)18-16-10-6-5-9-15(16)17(20)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyFUZQDQUMLCHGTF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About 2-phenylethyl 2-acetamidobenzoate

2-phenylethyl 2-acetamidobenzoate (PubChem CID 150228635) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenylethyl 2-acetamidobenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-acetamidobenzoate
PubChem CID150228635
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-phenylethyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(19)18-16-10-6-5-9-15(16)17(20)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyFUZQDQUMLCHGTF-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
2-phenylethyl acetate
CID 7654
2-phenylethyl 2-formylbenzoate
CID 10587030
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
2-(2-acetamidophenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 3566210
acetic acid;2-phenylethyl acetate
CID 174791962
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
2-phenylethyl 2-butoxybenzoate
CID 141306389
(3-nitrophenyl)methyl 2-acetamidobenzoate
CID 891381
[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 955166

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-acetamidobenzoate?
The IUPAC name of 2-phenylethyl 2-acetamidobenzoate (CID 150228635) is 2-phenylethyl 2-acetamidobenzoate.
What is the SMILES notation for 2-phenylethyl 2-acetamidobenzoate?
The canonical SMILES for 2-phenylethyl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-acetamidobenzoate?
The InChIKey is FUZQDQUMLCHGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(19)18-16-10-6-5-9-15(16)17(20)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-phenylethyl 2-acetamidobenzoate?
2-phenylethyl 2-acetamidobenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-acetamidobenzoate is sourced from PubChem (CID 150228635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).