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

C14H17NO3 — CID 169465993

IUPACmethyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(C=CCNC(C)=O)c1
InChIInChI=1S/C14H17NO3/c1-10-6-7-13(14(17)18-3)9-12(10)5-4-8-15-11(2)16/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyUJIUARREPTZWID-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.93
Rot. Bonds4

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

methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate (PubChem CID 169465993) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
PubChem CID169465993
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(C=CCNC(C)=O)c1
InChIInChI=1S/C14H17NO3/c1-10-6-7-13(14(17)18-3)9-12(10)5-4-8-15-11(2)16/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyUJIUARREPTZWID-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
CID 169466032
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
methyl 4-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468079
methyl 4-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]benzoate
CID 167262821
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl 4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
CID 123446062
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
CID 169465372
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate?
The IUPAC name of methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate (CID 169465993) is methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate?
The canonical SMILES for methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate is COC(=O)c1ccc(C)c(C=CCNC(C)=O)c1.
What is the InChIKey of methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate?
The InChIKey is UJIUARREPTZWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-6-7-13(14(17)18-3)9-12(10)5-4-8-15-11(2)16/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate?
methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate has a molecular weight of 247.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate is sourced from PubChem (CID 169465993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).