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

C17H19NO — CID 2186870

IUPAC2-methyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-5-6-12-16(14)17(19)18-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,18,19)
InChIKeyRUODXONFDRHRBI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.36
Rot. Bonds5

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

2-methyl-N-(3-phenylpropyl)benzamide (PubChem CID 2186870) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)benzamide
PubChem CID2186870
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-5-6-12-16(14)17(19)18-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,18,19)
InChIKeyRUODXONFDRHRBI-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)benzamide (CID 2186870) is 2-methyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)benzamide is Cc1ccccc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)benzamide?
The InChIKey is RUODXONFDRHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-5-6-12-16(14)17(19)18-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(3-phenylpropyl)benzamide?
2-methyl-N-(3-phenylpropyl)benzamide has a molecular weight of 253.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2186870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).