4-phenyl-N-(1-pyridin-4-ylethyl)butanamide

C17H20N2O — CID 2971219

IUPAC4-phenyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(NC(=O)CCCc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20)
InChIKeyOBWQSJVHKCHDPD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds6

About 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide

4-phenyl-N-(1-pyridin-4-ylethyl)butanamide (PubChem CID 2971219) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(1-pyridin-4-ylethyl)butanamide
PubChem CID2971219
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-phenyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCC(NC(=O)CCCc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20)
InChIKeyOBWQSJVHKCHDPD-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide?
The IUPAC name of 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide (CID 2971219) is 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide is CC(NC(=O)CCCc1ccccc1)c1ccncc1.
What is the InChIKey of 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide?
The InChIKey is OBWQSJVHKCHDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide?
4-phenyl-N-(1-pyridin-4-ylethyl)butanamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 2971219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).