N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide

C22H22N2O2 — CID 112986448

IUPACN-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
SMILESCc1cccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)c1C
InChIInChI=1S/C22H22N2O2/c1-16-7-6-10-21(17(16)2)23-18-11-13-19(14-12-18)24-22(25)15-26-20-8-4-3-5-9-20/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCJHSJMYTQFFGMX-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.06
Rot. Bonds6

About N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide

N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide (PubChem CID 112986448) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
PubChem CID112986448
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
SMILESCc1cccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)c1C
InChIInChI=1S/C22H22N2O2/c1-16-7-6-10-21(17(16)2)23-18-11-13-19(14-12-18)24-22(25)15-26-20-8-4-3-5-9-20/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCJHSJMYTQFFGMX-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
1-(2,3-dimethylphenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 40632106
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112986773
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide (CID 112986448) is N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide is Cc1cccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)c1C.
What is the InChIKey of N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide?
The InChIKey is CJHSJMYTQFFGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-7-6-10-21(17(16)2)23-18-11-13-19(14-12-18)24-22(25)15-26-20-8-4-3-5-9-20/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide?
N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide has a molecular weight of 346.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 112986448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).