N-(4-but-3-enoxyphenyl)acetamide

C12H15NO2 — CID 11195080

IUPACN-(4-but-3-enoxyphenyl)acetamide
SMILESC=CCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyCZAHDNVGIZIDDA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds5

About N-(4-but-3-enoxyphenyl)acetamide

N-(4-but-3-enoxyphenyl)acetamide (PubChem CID 11195080) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-but-3-enoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-but-3-enoxyphenyl)acetamide
PubChem CID11195080
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-but-3-enoxyphenyl)acetamide
SMILESC=CCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyCZAHDNVGIZIDDA-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
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
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476

Frequently Asked Questions

What is the IUPAC name of N-(4-but-3-enoxyphenyl)acetamide?
The IUPAC name of N-(4-but-3-enoxyphenyl)acetamide (CID 11195080) is N-(4-but-3-enoxyphenyl)acetamide.
What is the SMILES notation for N-(4-but-3-enoxyphenyl)acetamide?
The canonical SMILES for N-(4-but-3-enoxyphenyl)acetamide is C=CCCOc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-but-3-enoxyphenyl)acetamide?
The InChIKey is CZAHDNVGIZIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h3,5-8H,1,4,9H2,2H3,(H,13,14).
What are the key properties of N-(4-but-3-enoxyphenyl)acetamide?
N-(4-but-3-enoxyphenyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-but-3-enoxyphenyl)acetamide is sourced from PubChem (CID 11195080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).