N-[4-(4-cyclobutylbutyl)phenyl]acetamide

C16H23NO — CID 130280678

IUPACN-[4-(4-cyclobutylbutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCCC2CCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(18)17-16-11-9-15(10-12-16)6-3-2-5-14-7-4-8-14/h9-12,14H,2-8H2,1H3,(H,17,18)
InChIKeyQGBLNXSCBPUVGE-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(4-cyclobutylbutyl)phenyl]acetamide

N-[4-(4-cyclobutylbutyl)phenyl]acetamide (PubChem CID 130280678) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[4-(4-cyclobutylbutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylbutyl)phenyl]acetamide
PubChem CID130280678
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[4-(4-cyclobutylbutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCCC2CCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(18)17-16-11-9-15(10-12-16)6-3-2-5-14-7-4-8-14/h9-12,14H,2-8H2,1H3,(H,17,18)
InChIKeyQGBLNXSCBPUVGE-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.16
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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Related Compounds

2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
N-[4-[2-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111947212
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
5-(4-acetamidophenyl)pentanoic acid
CID 82255364
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 75103478
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylbutyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-cyclobutylbutyl)phenyl]acetamide (CID 130280678) is N-[4-(4-cyclobutylbutyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-cyclobutylbutyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-cyclobutylbutyl)phenyl]acetamide is CC(=O)Nc1ccc(CCCCC2CCC2)cc1.
What is the InChIKey of N-[4-(4-cyclobutylbutyl)phenyl]acetamide?
The InChIKey is QGBLNXSCBPUVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(18)17-16-11-9-15(10-12-16)6-3-2-5-14-7-4-8-14/h9-12,14H,2-8H2,1H3,(H,17,18).
What are the key properties of N-[4-(4-cyclobutylbutyl)phenyl]acetamide?
N-[4-(4-cyclobutylbutyl)phenyl]acetamide has a molecular weight of 245.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylbutyl)phenyl]acetamide is sourced from PubChem (CID 130280678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).