N-(3-acetylphenyl)-2-ethylbutanamide

C14H19NO2 — CID 897846

IUPACN-(3-acetylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H19NO2/c1-4-11(5-2)14(17)15-13-8-6-7-12(9-13)10(3)16/h6-9,11H,4-5H2,1-3H3,(H,15,17)
InChIKeyOYHSIUVRMKXGFK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.26
Rot. Bonds5

About N-(3-acetylphenyl)-2-ethylbutanamide

N-(3-acetylphenyl)-2-ethylbutanamide (PubChem CID 897846) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-ethylbutanamide
PubChem CID897846
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3-acetylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H19NO2/c1-4-11(5-2)14(17)15-13-8-6-7-12(9-13)10(3)16/h6-9,11H,4-5H2,1-3H3,(H,15,17)
InChIKeyOYHSIUVRMKXGFK-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-ethylbutanamide?
The IUPAC name of N-(3-acetylphenyl)-2-ethylbutanamide (CID 897846) is N-(3-acetylphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-ethylbutanamide?
The InChIKey is OYHSIUVRMKXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-11(5-2)14(17)15-13-8-6-7-12(9-13)10(3)16/h6-9,11H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-2-ethylbutanamide?
N-(3-acetylphenyl)-2-ethylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 897846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).