N-[(4-ethenoxyphenyl)methyl]acetamide

C11H13NO2 — CID 58445947

IUPACN-[(4-ethenoxyphenyl)methyl]acetamide
SMILESC=COc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H13NO2/c1-3-14-11-6-4-10(5-7-11)8-12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyPYFORDANDYYRFT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.85
Rot. Bonds4

About N-[(4-ethenoxyphenyl)methyl]acetamide

N-[(4-ethenoxyphenyl)methyl]acetamide (PubChem CID 58445947) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(4-ethenoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-ethenoxyphenyl)methyl]acetamide
PubChem CID58445947
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(4-ethenoxyphenyl)methyl]acetamide
SMILESC=COc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H13NO2/c1-3-14-11-6-4-10(5-7-11)8-12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyPYFORDANDYYRFT-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(4-ethenoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[[4-(4-bromobut-2-enoxy)phenyl]methyl]acetamide
CID 53432096
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[(6-ethenyl-3-pyridinyl)methyl]acetamide
CID 67478101
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
4-(acetamidomethyl)benzoate
CID 4573914
4-(acetamidomethyl)benzoyl chloride
CID 13131539
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
CID 143901890

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(4-ethenoxyphenyl)methyl]acetamide (CID 58445947) is N-[(4-ethenoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-ethenoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-ethenoxyphenyl)methyl]acetamide is C=COc1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[(4-ethenoxyphenyl)methyl]acetamide?
The InChIKey is PYFORDANDYYRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-14-11-6-4-10(5-7-11)8-12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of N-[(4-ethenoxyphenyl)methyl]acetamide?
N-[(4-ethenoxyphenyl)methyl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenoxyphenyl)methyl]acetamide is sourced from PubChem (CID 58445947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).