N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide

C13H17NO3 — CID 86096394

IUPACN-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
SMILESC=CCOCCOc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-3-8-16-9-10-17-13-7-5-4-6-12(13)14-11(2)15/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyGMJLBGBQMBZATA-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide

N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide (PubChem CID 86096394) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
PubChem CID86096394
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
SMILESC=CCOCCOc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-3-8-16-9-10-17-13-7-5-4-6-12(13)14-11(2)15/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyGMJLBGBQMBZATA-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
N-(2-ethenoxyphenyl)acetamide
CID 66367179
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
CID 55065855
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide?
The IUPAC name of N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide (CID 86096394) is N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide is C=CCOCCOc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide?
The InChIKey is GMJLBGBQMBZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-8-16-9-10-17-13-7-5-4-6-12(13)14-11(2)15/h3-7H,1,8-10H2,2H3,(H,14,15).
What are the key properties of N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide?
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 86096394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).