methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate

C14H17NO4 — CID 169466323

IUPACmethyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-11(16)15-9-3-4-12-5-7-13(8-6-12)19-10-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16)
InChIKeyFRKMJZFLQODHCR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.39
Rot. Bonds6

About methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate

methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate (PubChem CID 169466323) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
PubChem CID169466323
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-11(16)15-9-3-4-12-5-7-13(8-6-12)19-10-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16)
InChIKeyFRKMJZFLQODHCR-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
methyl 2-[4-(4-sulfanylbut-1-enyl)phenoxy]acetate
CID 170479195
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
CID 14579440
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl 4-(3-acetamidoprop-1-enyl)-2-aminobenzoate
CID 169466105
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate (CID 169466323) is methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate is COC(=O)COc1ccc(C=CCNC(C)=O)cc1.
What is the InChIKey of methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate?
The InChIKey is FRKMJZFLQODHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(16)15-9-3-4-12-5-7-13(8-6-12)19-10-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate?
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate has a molecular weight of 263.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate is sourced from PubChem (CID 169466323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).