2-benzamidoethyl benzoate

C16H15NO3 — CID 5131781

IUPAC2-benzamidoethyl benzoate
SMILESO=C(NCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(13-7-3-1-4-8-13)17-11-12-20-16(19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyHMEZXVFFZHPCDN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds5

About 2-benzamidoethyl benzoate

2-benzamidoethyl benzoate (PubChem CID 5131781) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-benzamidoethyl benzoate.

Molecular Properties

Compound Name2-benzamidoethyl benzoate
PubChem CID5131781
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-benzamidoethyl benzoate
SMILESO=C(NCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(13-7-3-1-4-8-13)17-11-12-20-16(19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyHMEZXVFFZHPCDN-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl benzoate?
The IUPAC name of 2-benzamidoethyl benzoate (CID 5131781) is 2-benzamidoethyl benzoate.
What is the SMILES notation for 2-benzamidoethyl benzoate?
The canonical SMILES for 2-benzamidoethyl benzoate is O=C(NCCOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl benzoate?
The InChIKey is HMEZXVFFZHPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(13-7-3-1-4-8-13)17-11-12-20-16(19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18).
What are the key properties of 2-benzamidoethyl benzoate?
2-benzamidoethyl benzoate has a molecular weight of 269.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl benzoate is sourced from PubChem (CID 5131781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).