2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid

C24H23NO4 — CID 20783005

IUPAC2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(OC(C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO4/c1-16-12-17(2)14-20(13-16)25-22(26)15-18-8-10-21(11-9-18)29-23(24(27)28)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyHSUCQZZMXIVPIO-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.69
Rot. Bonds7

About 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid

2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid (PubChem CID 20783005) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
PubChem CID20783005
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(OC(C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO4/c1-16-12-17(2)14-20(13-16)25-22(26)15-18-8-10-21(11-9-18)29-23(24(27)28)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyHSUCQZZMXIVPIO-UHFFFAOYSA-N
XLogP4.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(carboxymethyl)phenoxy]-2-phenylacetic acid
CID 12754883
CID 6331796
CID 6331796
2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169386885
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
2-[[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]amino]pentanedioic acid
CID 22482942
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17235622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid (CID 20783005) is 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid is Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C(=O)O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid?
The InChIKey is HSUCQZZMXIVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-12-17(2)14-20(13-16)25-22(26)15-18-8-10-21(11-9-18)29-23(24(27)28)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid?
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid has a molecular weight of 389.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 20783005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).