N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide

C12H16N2O3 — CID 29327648

IUPACN-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)7-13-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyINPTYDWWDBWOAB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide

N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide (PubChem CID 29327648) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
PubChem CID29327648
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)7-13-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyINPTYDWWDBWOAB-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide
CID 91839245
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
CID 62309444
N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide (CID 29327648) is N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide?
The InChIKey is INPTYDWWDBWOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)7-13-12(16)8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide?
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 29327648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).