2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide

C18H22N2O — CID 17434255

IUPAC2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-17-12-14(2)10-11-19-17/h6-12H,3-5,13H2,1-2H3,(H,19,20,21)
InChIKeyFAIASXXSLCSJBH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.91
Rot. Bonds6

About 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide

2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 17434255) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID17434255
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-17-12-14(2)10-11-19-17/h6-12H,3-5,13H2,1-2H3,(H,19,20,21)
InChIKeyFAIASXXSLCSJBH-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide (CID 17434255) is 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide is CCCCc1ccc(CC(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is FAIASXXSLCSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-17-12-14(2)10-11-19-17/h6-12H,3-5,13H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide?
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 17434255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).