4-(4-acetamidophenyl)butanamide

C12H16N2O2 — CID 3058962

IUPAC4-(4-acetamidophenyl)butanamide
SMILESCC(=O)Nc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)14-11-7-5-10(6-8-11)3-2-4-12(13)16/h5-8H,2-4H2,1H3,(H2,13,16)(H,14,15)
InChIKeyKFJFZZHQKFKWKB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.45
Rot. Bonds5

About 4-(4-acetamidophenyl)butanamide

4-(4-acetamidophenyl)butanamide (PubChem CID 3058962) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)butanamide
PubChem CID3058962
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(4-acetamidophenyl)butanamide
SMILESCC(=O)Nc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)14-11-7-5-10(6-8-11)3-2-4-12(13)16/h5-8H,2-4H2,1H3,(H2,13,16)(H,14,15)
InChIKeyKFJFZZHQKFKWKB-UHFFFAOYSA-N
XLogP1.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)butanamide?
The IUPAC name of 4-(4-acetamidophenyl)butanamide (CID 3058962) is 4-(4-acetamidophenyl)butanamide.
What is the SMILES notation for 4-(4-acetamidophenyl)butanamide?
The canonical SMILES for 4-(4-acetamidophenyl)butanamide is CC(=O)Nc1ccc(CCCC(N)=O)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)butanamide?
The InChIKey is KFJFZZHQKFKWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)14-11-7-5-10(6-8-11)3-2-4-12(13)16/h5-8H,2-4H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 4-(4-acetamidophenyl)butanamide?
4-(4-acetamidophenyl)butanamide has a molecular weight of 220.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)butanamide is sourced from PubChem (CID 3058962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).