2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide

C18H21NO — CID 2195498

IUPAC2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-15-9-11-17(12-10-15)14-18(20)19-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChIKeyQJBYULVVSUIFOM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide

2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide (PubChem CID 2195498) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide
PubChem CID2195498
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-15-9-11-17(12-10-15)14-18(20)19-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChIKeyQJBYULVVSUIFOM-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.29
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-(4-methylphenyl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide (CID 2195498) is 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide is Cc1ccc(CC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide?
The InChIKey is QJBYULVVSUIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15-9-11-17(12-10-15)14-18(20)19-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide?
2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2195498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).