N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

C20H22N2O4 — CID 26907063

IUPACN-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-19(24)12-26-18-10-4-15(5-11-18)14(3)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLGVYTNUXRMZAIR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.50
Rot. Bonds7

About N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 26907063) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID26907063
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-19(24)12-26-18-10-4-15(5-11-18)14(3)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLGVYTNUXRMZAIR-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538854
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (CID 26907063) is N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is CC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is LGVYTNUXRMZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-19(24)12-26-18-10-4-15(5-11-18)14(3)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 354.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 26907063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).