4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate

C22H15NO7-2 — CID 7431131

IUPAC4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1
InChIInChI=1S/C22H17NO7/c24-20(13-29-15-4-2-1-3-5-15)23-14-6-8-16(9-7-14)30-17-10-11-18(21(25)26)19(12-17)22(27)28/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)/p-2
InChIKeyIZBVCBWBKOJQFM-UHFFFAOYSA-L
MW405.36 g/mol
LogP1.22
Rot. Bonds8

About 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate

4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate (PubChem CID 7431131) has the molecular formula C22H15NO7-2 and a molecular weight of 405.36 g/mol. Its IUPAC name is 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate.

Molecular Properties

Compound Name4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate
PubChem CID7431131
Molecular FormulaC22H15NO7-2
Molecular Weight405.36 g/mol
Exact Mass405.09
IUPAC Name4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1
InChIInChI=1S/C22H17NO7/c24-20(13-29-15-4-2-1-3-5-15)23-14-6-8-16(9-7-14)30-17-10-11-18(21(25)26)19(12-17)22(27)28/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)/p-2
InChIKeyIZBVCBWBKOJQFM-UHFFFAOYSA-L
XLogP1.22
TPSA127.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
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
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate?
The IUPAC name of 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate (CID 7431131) is 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate.
What is the SMILES notation for 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate?
The canonical SMILES for 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate is O=C(COc1ccccc1)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1.
What is the InChIKey of 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate?
The InChIKey is IZBVCBWBKOJQFM-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H17NO7/c24-20(13-29-15-4-2-1-3-5-15)23-14-6-8-16(9-7-14)30-17-10-11-18(21(25)26)19(12-17)22(27)28/h1-12H,13H2,(H,23,24)(H,25,26)(H,27,28)/p-2.
What are the key properties of 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate?
4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate has a molecular weight of 405.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-phenoxyacetyl)amino]phenoxy]phthalate is sourced from PubChem (CID 7431131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).