N-[4-(2-ethenylphenyl)but-3-enyl]acetamide

C14H17NO — CID 170488202

IUPACN-[4-(2-ethenylphenyl)but-3-enyl]acetamide
SMILESC=Cc1ccccc1C=CCCNC(C)=O
InChIInChI=1S/C14H17NO/c1-3-13-8-4-5-9-14(13)10-6-7-11-15-12(2)16/h3-6,8-10H,1,7,11H2,2H3,(H,15,16)
InChIKeyPZCDURIKSWFZTC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(2-ethenylphenyl)but-3-enyl]acetamide

N-[4-(2-ethenylphenyl)but-3-enyl]acetamide (PubChem CID 170488202) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[4-(2-ethenylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethenylphenyl)but-3-enyl]acetamide
PubChem CID170488202
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[4-(2-ethenylphenyl)but-3-enyl]acetamide
SMILESC=Cc1ccccc1C=CCCNC(C)=O
InChIInChI=1S/C14H17NO/c1-3-13-8-4-5-9-14(13)10-6-7-11-15-12(2)16/h3-6,8-10H,1,7,11H2,2H3,(H,15,16)
InChIKeyPZCDURIKSWFZTC-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.87
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-(2-phenylethyl)acetamide
CID 70143
Acetylamphetamine
CID 26660
N-Benzylacetamide
CID 11500
Brn 2646116
CID 5281870
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
Butanamide, N-(1,2,3,4-tetrahydro-2-naphthalenyl)-
CID 10353304
N-phenethylcyclopropanecarboxamide
CID 3700255
N-(3-phenylpropyl)cyclopropanecarboxamide
CID 5186226
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethenylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2-ethenylphenyl)but-3-enyl]acetamide (CID 170488202) is N-[4-(2-ethenylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2-ethenylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2-ethenylphenyl)but-3-enyl]acetamide is C=Cc1ccccc1C=CCCNC(C)=O.
What is the InChIKey of N-[4-(2-ethenylphenyl)but-3-enyl]acetamide?
The InChIKey is PZCDURIKSWFZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13-8-4-5-9-14(13)10-6-7-11-15-12(2)16/h3-6,8-10H,1,7,11H2,2H3,(H,15,16).
What are the key properties of N-[4-(2-ethenylphenyl)but-3-enyl]acetamide?
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide has a molecular weight of 215.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethenylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).