N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide

C23H23N3O3 — CID 112988313

IUPACN-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-6-12-22(13-7-16)29-15-23(28)26-19-10-8-18(9-11-19)25-21-5-3-4-20(14-21)24-17(2)27/h3-14,25H,15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyHAKHLDFTRNGITN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.71
Rot. Bonds7

About N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide

N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 112988313) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID112988313
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-6-12-22(13-7-16)29-15-23(28)26-19-10-8-18(9-11-19)25-21-5-3-4-20(14-21)24-17(2)27/h3-14,25H,15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyHAKHLDFTRNGITN-UHFFFAOYSA-N
XLogP4.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide (CID 112988313) is N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HAKHLDFTRNGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-6-12-22(13-7-16)29-15-23(28)26-19-10-8-18(9-11-19)25-21-5-3-4-20(14-21)24-17(2)27/h3-14,25H,15H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 112988313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).