3-methyl-N-(2-phenylethyl)benzamide

C16H17NO — CID 723531

IUPAC3-methyl-N-(2-phenylethyl)benzamide
SMILESCc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)16(18)17-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyPUXFKJNTLNBQMJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-N-(2-phenylethyl)benzamide

3-methyl-N-(2-phenylethyl)benzamide (PubChem CID 723531) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)benzamide
PubChem CID723531
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-methyl-N-(2-phenylethyl)benzamide
SMILESCc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)16(18)17-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyPUXFKJNTLNBQMJ-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)benzamide (CID 723531) is 3-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)benzamide is Cc1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is PUXFKJNTLNBQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)16(18)17-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-(2-phenylethyl)benzamide?
3-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 239.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).