N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide

C16H18N2O — CID 524049

IUPACN-(3-phenyl-3-pyridin-2-ylpropyl)acetamide
SMILESCC(=O)NCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(19)17-12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-18-16/h2-9,11,15H,10,12H2,1H3,(H,17,19)
InChIKeyZMNXZIWMJCGGHP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds5

About N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide

N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide (PubChem CID 524049) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-phenyl-3-pyridin-2-ylpropyl)acetamide
PubChem CID524049
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-phenyl-3-pyridin-2-ylpropyl)acetamide
SMILESCC(=O)NCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(19)17-12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-18-16/h2-9,11,15H,10,12H2,1H3,(H,17,19)
InChIKeyZMNXZIWMJCGGHP-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide?
The IUPAC name of N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide (CID 524049) is N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide.
What is the SMILES notation for N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide?
The canonical SMILES for N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide is CC(=O)NCCC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide?
The InChIKey is ZMNXZIWMJCGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(19)17-12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-18-16/h2-9,11,15H,10,12H2,1H3,(H,17,19).
What are the key properties of N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide?
N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-3-pyridin-2-ylpropyl)acetamide is sourced from PubChem (CID 524049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).