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

C13H15NO3 — CID 169465710

IUPACmethyl 4-(3-acetamidoprop-1-enyl)benzoate
SMILESCOC(=O)c1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C13H15NO3/c1-10(15)14-9-3-4-11-5-7-12(8-6-11)13(16)17-2/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyKMROTFVWWOKSPM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds4

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

methyl 4-(3-acetamidoprop-1-enyl)benzoate (PubChem CID 169465710) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 4-(3-acetamidoprop-1-enyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-acetamidoprop-1-enyl)benzoate
PubChem CID169465710
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-(3-acetamidoprop-1-enyl)benzoate
SMILESCOC(=O)c1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C13H15NO3/c1-10(15)14-9-3-4-11-5-7-12(8-6-11)13(16)17-2/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyKMROTFVWWOKSPM-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
methyl 4-but-1-enylbenzoate
CID 69135322
methyl 4-(3-acetamidoprop-1-enyl)-2-aminobenzoate
CID 169466105
methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
CID 23294752
methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
CID 169465993
methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
CID 169466032
ethyl 2-[4-(3-acetamidoprop-1-enyl)phenyl]-2-oxoacetate
CID 169466378
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-acetamidoprop-1-enyl)benzoate?
The IUPAC name of methyl 4-(3-acetamidoprop-1-enyl)benzoate (CID 169465710) is methyl 4-(3-acetamidoprop-1-enyl)benzoate.
What is the SMILES notation for methyl 4-(3-acetamidoprop-1-enyl)benzoate?
The canonical SMILES for methyl 4-(3-acetamidoprop-1-enyl)benzoate is COC(=O)c1ccc(C=CCNC(C)=O)cc1.
What is the InChIKey of methyl 4-(3-acetamidoprop-1-enyl)benzoate?
The InChIKey is KMROTFVWWOKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(15)14-9-3-4-11-5-7-12(8-6-11)13(16)17-2/h3-8H,9H2,1-2H3,(H,14,15).
What are the key properties of methyl 4-(3-acetamidoprop-1-enyl)benzoate?
methyl 4-(3-acetamidoprop-1-enyl)benzoate has a molecular weight of 233.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-acetamidoprop-1-enyl)benzoate is sourced from PubChem (CID 169465710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).