N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C23H24N2O5 — CID 55362283

IUPACN-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-13-17(14-21(28-2)23(20)29-3)24-15-22(26)25-16-9-11-19(12-10-16)30-18-7-5-4-6-8-18/h4-14,24H,15H2,1-3H3,(H,25,26)
InChIKeyOCBRLIZLDBCOSG-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.56
Rot. Bonds9

About N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 55362283) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID55362283
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-13-17(14-21(28-2)23(20)29-3)24-15-22(26)25-16-9-11-19(12-10-16)30-18-7-5-4-6-8-18/h4-14,24H,15H2,1-3H3,(H,25,26)
InChIKeyOCBRLIZLDBCOSG-UHFFFAOYSA-N
XLogP4.56
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 55362283) is N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is OCBRLIZLDBCOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-20-13-17(14-21(28-2)23(20)29-3)24-15-22(26)25-16-9-11-19(12-10-16)30-18-7-5-4-6-8-18/h4-14,24H,15H2,1-3H3,(H,25,26).
What are the key properties of N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 408.45 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 55362283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).