2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate

C14H18N2O4 — CID 70416182

IUPAC2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
SMILESCC(=O)Nc1ccc(OCCOC(=O)/C=C(/C)N)cc1
InChIInChI=1S/C14H18N2O4/c1-10(15)9-14(18)20-8-7-19-13-5-3-12(4-6-13)16-11(2)17/h3-6,9H,7-8,15H2,1-2H3,(H,16,17)/b10-9-
InChIKeyHURJZCWSILXPSK-KTKRTIGZSA-N
MW278.31 g/mol
LogP1.43
Rot. Bonds6

About 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate

2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate (PubChem CID 70416182) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
PubChem CID70416182
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
SMILESCC(=O)Nc1ccc(OCCOC(=O)/C=C(/C)N)cc1
InChIInChI=1S/C14H18N2O4/c1-10(15)9-14(18)20-8-7-19-13-5-3-12(4-6-13)16-11(2)17/h3-6,9H,7-8,15H2,1-2H3,(H,16,17)/b10-9-
InChIKeyHURJZCWSILXPSK-KTKRTIGZSA-N
XLogP1.43
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate?
The IUPAC name of 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate (CID 70416182) is 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate.
What is the SMILES notation for 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate?
The canonical SMILES for 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate is CC(=O)Nc1ccc(OCCOC(=O)/C=C(/C)N)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate?
The InChIKey is HURJZCWSILXPSK-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(15)9-14(18)20-8-7-19-13-5-3-12(4-6-13)16-11(2)17/h3-6,9H,7-8,15H2,1-2H3,(H,16,17)/b10-9-.
What are the key properties of 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate?
2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate has a molecular weight of 278.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate is sourced from PubChem (CID 70416182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).