methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate

C23H21NO4 — CID 1301261

IUPACmethyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-27-21(25)16-28-20-14-8-13-19(15-20)24-23(26)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,24,26)
InChIKeyPDNWYLUQFVCEKX-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.01
Rot. Bonds7

About methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate

methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate (PubChem CID 1301261) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
PubChem CID1301261
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-27-21(25)16-28-20-14-8-13-19(15-20)24-23(26)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,24,26)
InChIKeyPDNWYLUQFVCEKX-UHFFFAOYSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate (CID 1301261) is methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate?
The InChIKey is PDNWYLUQFVCEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-21(25)16-28-20-14-8-13-19(15-20)24-23(26)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,24,26).
What are the key properties of methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate?
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate has a molecular weight of 375.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate is sourced from PubChem (CID 1301261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).