N-(4-phenylbutyl)acetamide

C12H17NO — CID 605592

IUPACN-(4-phenylbutyl)acetamide
SMILESCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C12H17NO/c1-11(14)13-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)
InChIKeyZHWPTBJQTJMPJA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds5

About N-(4-phenylbutyl)acetamide

N-(4-phenylbutyl)acetamide (PubChem CID 605592) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)acetamide
PubChem CID605592
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(4-phenylbutyl)acetamide
SMILESCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C12H17NO/c1-11(14)13-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)
InChIKeyZHWPTBJQTJMPJA-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)acetamide?
The IUPAC name of N-(4-phenylbutyl)acetamide (CID 605592) is N-(4-phenylbutyl)acetamide.
What is the SMILES notation for N-(4-phenylbutyl)acetamide?
The canonical SMILES for N-(4-phenylbutyl)acetamide is CC(=O)NCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)acetamide?
The InChIKey is ZHWPTBJQTJMPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(14)13-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14).
What are the key properties of N-(4-phenylbutyl)acetamide?
N-(4-phenylbutyl)acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 605592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).