N-benzyl-2-ethylbutanamide

C13H19NO — CID 835620

IUPACN-benzyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-12(4-2)13(15)14-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyDAXSZZIZMJPAIB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-2-ethylbutanamide

N-benzyl-2-ethylbutanamide (PubChem CID 835620) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-ethylbutanamide
PubChem CID835620
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-12(4-2)13(15)14-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyDAXSZZIZMJPAIB-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethylbutanamide?
The IUPAC name of N-benzyl-2-ethylbutanamide (CID 835620) is N-benzyl-2-ethylbutanamide.
What is the SMILES notation for N-benzyl-2-ethylbutanamide?
The canonical SMILES for N-benzyl-2-ethylbutanamide is CCC(CC)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-ethylbutanamide?
The InChIKey is DAXSZZIZMJPAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-12(4-2)13(15)14-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-2-ethylbutanamide?
N-benzyl-2-ethylbutanamide has a molecular weight of 205.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethylbutanamide is sourced from PubChem (CID 835620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).