2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide

C34H28N2O6 — CID 4227761

IUPAC2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)COc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C34H28N2O6/c37-33(23-39-27-8-3-1-4-9-27)35-25-14-18-29(19-15-25)41-31-12-7-13-32(22-31)42-30-20-16-26(17-21-30)36-34(38)24-40-28-10-5-2-6-11-28/h1-22H,23-24H2,(H,35,37)(H,36,38)
InChIKeyFJCZUIATVZSAKQ-UHFFFAOYSA-N
MW560.61 g/mol
LogP7.31
Rot. Bonds12

About 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide

2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide (PubChem CID 4227761) has the molecular formula C34H28N2O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
PubChem CID4227761
Molecular FormulaC34H28N2O6
Molecular Weight560.61 g/mol
Exact Mass560.19
IUPAC Name2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)COc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C34H28N2O6/c37-33(23-39-27-8-3-1-4-9-27)35-25-14-18-29(19-15-25)41-31-12-7-13-32(22-31)42-30-20-16-26(17-21-30)36-34(38)24-40-28-10-5-2-6-11-28/h1-22H,23-24H2,(H,35,37)(H,36,38)
InChIKeyFJCZUIATVZSAKQ-UHFFFAOYSA-N
XLogP7.31
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate
CID 7431131
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide (CID 4227761) is 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)COc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide?
The InChIKey is FJCZUIATVZSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O6/c37-33(23-39-27-8-3-1-4-9-27)35-25-14-18-29(19-15-25)41-31-12-7-13-32(22-31)42-30-20-16-26(17-21-30)36-34(38)24-40-28-10-5-2-6-11-28/h1-22H,23-24H2,(H,35,37)(H,36,38).
What are the key properties of 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide?
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide has a molecular weight of 560.61 g/mol, XLogP of 7.31, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide is sourced from PubChem (CID 4227761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).