2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid

C22H19NO4 — CID 1342038

IUPAC2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c24-20(25)15-27-19-13-11-18(12-14-19)23-22(26)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,23,26)(H,24,25)
InChIKeyRJAYJJCXTBWCCE-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.92
Rot. Bonds7

About 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid

2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid (PubChem CID 1342038) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid
PubChem CID1342038
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c24-20(25)15-27-19-13-11-18(12-14-19)23-22(26)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,23,26)(H,24,25)
InChIKeyRJAYJJCXTBWCCE-UHFFFAOYSA-N
XLogP3.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Efaproxiral
CID 122335
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
Acetic acid, (2-((phenylamino)carbonyl)phenoxy)-
CID 94724
Efaproxiral sodium
CID 2725048
2'-[(4-Methoxyphenyl)carbamoyl]biphenyl-2-carboxylic acid
CID 951257
5-Oxo-5-(4-phenoxyanilino)-3-phenylpentanoic acid
CID 2812801
N-(4-Ethoxy-phenyl)-3-(4-methyl-benzyl)-succinamic acid
CID 3109040
2-{[4-(Benzyloxy)phenyl]carbamoyl}cyclohexanecarboxylic acid
CID 4621430
(2-Oxo-2-{[4-(2-phenylethoxy)phenyl]amino}ethoxy)acetic acid
CID 5034646
2-(3,5-Dimethylbenzyl)-4-[(4-ethoxyphenyl)amino]-4-oxobutanoic acid
CID 20417838
2-(3-Benzamidophenoxy)acetic acid
CID 570259
Phenacyl 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoate
CID 1739030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid (CID 1342038) is 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid?
The InChIKey is RJAYJJCXTBWCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-20(25)15-27-19-13-11-18(12-14-19)23-22(26)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid?
2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid has a molecular weight of 361.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-diphenylacetyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 1342038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).