2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate

C14H17NO4 — CID 70603305

IUPAC2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-10(2)14(17)19-9-8-18-13-6-4-12(5-7-13)15-11(3)16/h4-7H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyHFUISUHGKBHUBU-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate

2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 70603305) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
PubChem CID70603305
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H17NO4/c1-10(2)14(17)19-9-8-18-13-6-4-12(5-7-13)15-11(3)16/h4-7H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyHFUISUHGKBHUBU-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfonylphenoxy]ethyl 2-methylprop-2-enoate
CID 22239251
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
CID 159718269
2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
CID 70416182
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
3-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]propyl 2-methylprop-2-enoate
CID 23544685
2-[2-[2-[2-[4-[2-[4-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 101011934
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate (CID 70603305) is 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is HFUISUHGKBHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)14(17)19-9-8-18-13-6-4-12(5-7-13)15-11(3)16/h4-7H,1,8-9H2,2-3H3,(H,15,16).
What are the key properties of 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate?
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 70603305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).