2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid

C19H21NO4 — CID 119253867

IUPAC2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOC(C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(2,18(22)23)14-9-11-15(12-10-14)20-17(21)16(24-3)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H,20,21)(H,22,23)
InChIKeyBZLOFDZYBVPIBZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.38
Rot. Bonds6

About 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253867) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID119253867
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOC(C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(2,18(22)23)14-9-11-15(12-10-14)20-17(21)16(24-3)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H,20,21)(H,22,23)
InChIKeyBZLOFDZYBVPIBZ-UHFFFAOYSA-N
XLogP3.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(3-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid (CID 119253867) is 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid is COC(C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is BZLOFDZYBVPIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,18(22)23)14-9-11-15(12-10-14)20-17(21)16(24-3)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).