ethyl 4-(3-acetamidoprop-1-enyl)benzoate

C14H17NO3 — CID 169466574

IUPACethyl 4-(3-acetamidoprop-1-enyl)benzoate
SMILESCCOC(=O)c1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C14H17NO3/c1-3-18-14(17)13-8-6-12(7-9-13)5-4-10-15-11(2)16/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeyUPXRZEWMLRTSII-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.01
Rot. Bonds5

About ethyl 4-(3-acetamidoprop-1-enyl)benzoate

ethyl 4-(3-acetamidoprop-1-enyl)benzoate (PubChem CID 169466574) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 4-(3-acetamidoprop-1-enyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-acetamidoprop-1-enyl)benzoate
PubChem CID169466574
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 4-(3-acetamidoprop-1-enyl)benzoate
SMILESCCOC(=O)c1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C14H17NO3/c1-3-18-14(17)13-8-6-12(7-9-13)5-4-10-15-11(2)16/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeyUPXRZEWMLRTSII-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
ethyl 2-[4-(3-acetamidoprop-1-enyl)phenyl]-2-oxoacetate
CID 169466378
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl 4-(3-acetamidoprop-1-enyl)-2-aminobenzoate
CID 169466105
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-acetamidoprop-1-enyl)benzoate?
The IUPAC name of ethyl 4-(3-acetamidoprop-1-enyl)benzoate (CID 169466574) is ethyl 4-(3-acetamidoprop-1-enyl)benzoate.
What is the SMILES notation for ethyl 4-(3-acetamidoprop-1-enyl)benzoate?
The canonical SMILES for ethyl 4-(3-acetamidoprop-1-enyl)benzoate is CCOC(=O)c1ccc(C=CCNC(C)=O)cc1.
What is the InChIKey of ethyl 4-(3-acetamidoprop-1-enyl)benzoate?
The InChIKey is UPXRZEWMLRTSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-18-14(17)13-8-6-12(7-9-13)5-4-10-15-11(2)16/h4-9H,3,10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-(3-acetamidoprop-1-enyl)benzoate?
ethyl 4-(3-acetamidoprop-1-enyl)benzoate has a molecular weight of 247.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-acetamidoprop-1-enyl)benzoate is sourced from PubChem (CID 169466574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).