N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide

C13H13NO — CID 169464977

IUPACN-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
SMILESC#Cc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C13H13NO/c1-3-12-6-8-13(9-7-12)5-4-10-14-11(2)15/h1,4-9H,10H2,2H3,(H,14,15)
InChIKeyCZWFXHKIGGAGLR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.82
Rot. Bonds3

About N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide

N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide (PubChem CID 169464977) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
PubChem CID169464977
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
SMILESC#Cc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C13H13NO/c1-3-12-6-8-13(9-7-12)5-4-10-14-11(2)15/h1,4-9H,10H2,2H3,(H,14,15)
InChIKeyCZWFXHKIGGAGLR-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethynylphenyl)-N-methylprop-2-en-1-amine
CID 169473162
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane
CID 144790256
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
ethyl 2-[4-(3-acetamidoprop-1-enyl)phenyl]-2-oxoacetate
CID 169466378

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide (CID 169464977) is N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide is C#Cc1ccc(C=CCNC(C)=O)cc1.
What is the InChIKey of N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide?
The InChIKey is CZWFXHKIGGAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-12-6-8-13(9-7-12)5-4-10-14-11(2)15/h1,4-9H,10H2,2H3,(H,14,15).
What are the key properties of N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide?
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide has a molecular weight of 199.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).