N-benzyl-3-phenoxypropanamide

C16H17NO2 — CID 725617

IUPACN-benzyl-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(17-13-14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeySLTBEBSIBTXWJA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds6

About N-benzyl-3-phenoxypropanamide

N-benzyl-3-phenoxypropanamide (PubChem CID 725617) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-benzyl-3-phenoxypropanamide
PubChem CID725617
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(17-13-14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeySLTBEBSIBTXWJA-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenoxypropanamide?
The IUPAC name of N-benzyl-3-phenoxypropanamide (CID 725617) is N-benzyl-3-phenoxypropanamide.
What is the SMILES notation for N-benzyl-3-phenoxypropanamide?
The canonical SMILES for N-benzyl-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-phenoxypropanamide?
The InChIKey is SLTBEBSIBTXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(17-13-14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18).
What are the key properties of N-benzyl-3-phenoxypropanamide?
N-benzyl-3-phenoxypropanamide has a molecular weight of 255.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenoxypropanamide is sourced from PubChem (CID 725617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).