N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide

C20H24N2O3 — CID 18153975

IUPACN-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)18-6-4-5-7-19(18)25-13-20(24)21-12-16-8-10-17(11-9-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKYLIFYKTEZYFFE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 18153975) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID18153975
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)18-6-4-5-7-19(18)25-13-20(24)21-12-16-8-10-17(11-9-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKYLIFYKTEZYFFE-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 54780767
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108923165

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 18153975) is N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(=O)Nc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is KYLIFYKTEZYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)18-6-4-5-7-19(18)25-13-20(24)21-12-16-8-10-17(11-9-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 7 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-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 18153975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).