methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate

C14H17NO4 — CID 146673178

IUPACmethyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-11(16)15-9-10-19-13-6-3-12(4-7-13)5-8-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16)/b8-5+
InChIKeyXVTNGZKNOBHARV-VMPITWQZSA-N
MW263.29 g/mol
LogP1.39
Rot. Bonds6

About methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate

methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate (PubChem CID 146673178) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
PubChem CID146673178
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-11(16)15-9-10-19-13-6-3-12(4-7-13)5-8-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16)/b8-5+
InChIKeyXVTNGZKNOBHARV-VMPITWQZSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[4-(2-acetamidoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 97034323
methyl (E)-3-[4-(3-bromopropoxy)phenyl]prop-2-enoate
CID 70495691
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
methyl (E)-3-[4-[4-(6-hydroxyhexoxy)benzoyl]phenyl]prop-2-enoate
CID 90399471
methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate
CID 10105253
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate (CID 146673178) is methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OCCNC(C)=O)cc1.
What is the InChIKey of methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate?
The InChIKey is XVTNGZKNOBHARV-VMPITWQZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(16)15-9-10-19-13-6-3-12(4-7-13)5-8-14(17)18-2/h3-8H,9-10H2,1-2H3,(H,15,16)/b8-5+.
What are the key properties of methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate?
methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate 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 (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 146673178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).