N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane

C18H21NO3 — CID 160894365

IUPACN-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
SMILESC.CC(=O)c1ccc(NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C17H17NO3.CH4/c1-12-10-14(8-9-16(12)13(2)19)18-17(20)11-21-15-6-4-3-5-7-15;/h3-10H,11H2,1-2H3,(H,18,20);1H4
InChIKeySORFIQPFWGIACQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.85
Rot. Bonds5

About N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane

N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane (PubChem CID 160894365) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane.

Molecular Properties

Compound NameN-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
PubChem CID160894365
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
SMILESC.CC(=O)c1ccc(NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C17H17NO3.CH4/c1-12-10-14(8-9-16(12)13(2)19)18-17(20)11-21-15-6-4-3-5-7-15;/h3-10H,11H2,1-2H3,(H,18,20);1H4
InChIKeySORFIQPFWGIACQ-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 2233816
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
3-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417235
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane?
The IUPAC name of N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane (CID 160894365) is N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane.
What is the SMILES notation for N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane?
The canonical SMILES for N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane is C.CC(=O)c1ccc(NC(=O)COc2ccccc2)cc1C.
What is the InChIKey of N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane?
The InChIKey is SORFIQPFWGIACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3.CH4/c1-12-10-14(8-9-16(12)13(2)19)18-17(20)11-21-15-6-4-3-5-7-15;/h3-10H,11H2,1-2H3,(H,18,20);1H4.
What are the key properties of N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane?
N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane has a molecular weight of 299.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane is sourced from PubChem (CID 160894365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).