4-(4-acetamidophenoxy)-2-methylidenebutanoic acid

C13H15NO4 — CID 159718269

IUPAC4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
SMILESC=C(CCOc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(13(16)17)7-8-18-12-5-3-11(4-6-12)14-10(2)15/h3-6H,1,7-8H2,2H3,(H,14,15)(H,16,17)
InChIKeySFKBLKRKGHQLKD-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.05
Rot. Bonds6

About 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid

4-(4-acetamidophenoxy)-2-methylidenebutanoic acid (PubChem CID 159718269) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
PubChem CID159718269
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
SMILESC=C(CCOc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(13(16)17)7-8-18-12-5-3-11(4-6-12)14-10(2)15/h3-6H,1,7-8H2,2H3,(H,14,15)(H,16,17)
InChIKeySFKBLKRKGHQLKD-UHFFFAOYSA-N
XLogP2.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
CID 103074266
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid?
The IUPAC name of 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid (CID 159718269) is 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid?
The canonical SMILES for 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid is C=C(CCOc1ccc(NC(C)=O)cc1)C(=O)O.
What is the InChIKey of 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid?
The InChIKey is SFKBLKRKGHQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(13(16)17)7-8-18-12-5-3-11(4-6-12)14-10(2)15/h3-6H,1,7-8H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid?
4-(4-acetamidophenoxy)-2-methylidenebutanoic acid has a molecular weight of 249.27 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenoxy)-2-methylidenebutanoic acid is sourced from PubChem (CID 159718269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).