3-methyl-N-(2-phenoxyphenyl)butanamide

C17H19NO2 — CID 2165998

IUPAC3-methyl-N-(2-phenoxyphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(2)12-17(19)18-15-10-6-7-11-16(15)20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyWZSLUPJYMIDNOQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.46
Rot. Bonds5

About 3-methyl-N-(2-phenoxyphenyl)butanamide

3-methyl-N-(2-phenoxyphenyl)butanamide (PubChem CID 2165998) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-methyl-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenoxyphenyl)butanamide
PubChem CID2165998
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-methyl-N-(2-phenoxyphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(2)12-17(19)18-15-10-6-7-11-16(15)20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyWZSLUPJYMIDNOQ-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of 3-methyl-N-(2-phenoxyphenyl)butanamide (CID 2165998) is 3-methyl-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(2-phenoxyphenyl)butanamide is CC(C)CC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenoxyphenyl)butanamide?
The InChIKey is WZSLUPJYMIDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(2)12-17(19)18-15-10-6-7-11-16(15)20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(2-phenoxyphenyl)butanamide?
3-methyl-N-(2-phenoxyphenyl)butanamide has a molecular weight of 269.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 2165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).