N-benzyl-2-propylpentanamide

C15H23NO — CID 3032168

IUPACN-benzyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-8-14(9-4-2)15(17)16-12-13-10-6-5-7-11-13/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3,(H,16,17)
InChIKeyXZNQVLLUECWXEK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.52
Rot. Bonds7

About N-benzyl-2-propylpentanamide

N-benzyl-2-propylpentanamide (PubChem CID 3032168) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-benzyl-2-propylpentanamide.

Molecular Properties

Compound NameN-benzyl-2-propylpentanamide
PubChem CID3032168
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-benzyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-8-14(9-4-2)15(17)16-12-13-10-6-5-7-11-13/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3,(H,16,17)
InChIKeyXZNQVLLUECWXEK-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-propylpentanamide?
The IUPAC name of N-benzyl-2-propylpentanamide (CID 3032168) is N-benzyl-2-propylpentanamide.
What is the SMILES notation for N-benzyl-2-propylpentanamide?
The canonical SMILES for N-benzyl-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-propylpentanamide?
The InChIKey is XZNQVLLUECWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-8-14(9-4-2)15(17)16-12-13-10-6-5-7-11-13/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-2-propylpentanamide?
N-benzyl-2-propylpentanamide has a molecular weight of 233.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-propylpentanamide is sourced from PubChem (CID 3032168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).