N-[4-(4-ethylphenyl)but-3-enyl]acetamide

C14H19NO — CID 170488200

IUPACN-[4-(4-ethylphenyl)but-3-enyl]acetamide
SMILESCCc1ccc(C=CCCNC(C)=O)cc1
InChIInChI=1S/C14H19NO/c1-3-13-7-9-14(10-8-13)6-4-5-11-15-12(2)16/h4,6-10H,3,5,11H2,1-2H3,(H,15,16)
InChIKeyQFEZZKYOFWOACI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.79
Rot. Bonds5

About N-[4-(4-ethylphenyl)but-3-enyl]acetamide

N-[4-(4-ethylphenyl)but-3-enyl]acetamide (PubChem CID 170488200) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)but-3-enyl]acetamide
PubChem CID170488200
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[4-(4-ethylphenyl)but-3-enyl]acetamide
SMILESCCc1ccc(C=CCCNC(C)=O)cc1
InChIInChI=1S/C14H19NO/c1-3-13-7-9-14(10-8-13)6-4-5-11-15-12(2)16/h4,6-10H,3,5,11H2,1-2H3,(H,15,16)
InChIKeyQFEZZKYOFWOACI-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.79
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

N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
CID 170489078
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
CID 170489616
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
CID 170489660
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)but-3-enyl]acetamide (CID 170488200) is N-[4-(4-ethylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)but-3-enyl]acetamide is CCc1ccc(C=CCCNC(C)=O)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)but-3-enyl]acetamide?
The InChIKey is QFEZZKYOFWOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-13-7-9-14(10-8-13)6-4-5-11-15-12(2)16/h4,6-10H,3,5,11H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(4-ethylphenyl)but-3-enyl]acetamide?
N-[4-(4-ethylphenyl)but-3-enyl]acetamide has a molecular weight of 217.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).