2-(4-butylphenyl)propanamide

C13H19NO — CID 90926449

IUPAC2-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(C(C)C(N)=O)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H2,14,15)
InChIKeyNOXHSTAYCDYCHE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-butylphenyl)propanamide

2-(4-butylphenyl)propanamide (PubChem CID 90926449) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-butylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-butylphenyl)propanamide
PubChem CID90926449
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(C(C)C(N)=O)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H2,14,15)
InChIKeyNOXHSTAYCDYCHE-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

diethyl 2-(4-butylphenyl)propanedioate
CID 14527868
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
(E)-2-(4-butylphenyl)-4-methylpent-2-enamide
CID 123617537
2-(4-propylphenyl)propanoic acid
CID 14880971
2-bromo-2-(4-butylphenyl)acetic acid
CID 122539824
methyl 2-(4-propylphenyl)propanoate
CID 62801402
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)propanamide?
The IUPAC name of 2-(4-butylphenyl)propanamide (CID 90926449) is 2-(4-butylphenyl)propanamide.
What is the SMILES notation for 2-(4-butylphenyl)propanamide?
The canonical SMILES for 2-(4-butylphenyl)propanamide is CCCCc1ccc(C(C)C(N)=O)cc1.
What is the InChIKey of 2-(4-butylphenyl)propanamide?
The InChIKey is NOXHSTAYCDYCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-butylphenyl)propanamide?
2-(4-butylphenyl)propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)propanamide is sourced from PubChem (CID 90926449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).