2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid

C19H21NO3 — CID 18427347

IUPAC2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid
SMILESCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13-8-7-9-14(2)18(13)20(15(3)19(22)23)17(21)12-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,22,23)
InChIKeyDXGQLQXGTYPVJL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid

2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid (PubChem CID 18427347) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid
PubChem CID18427347
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid
SMILESCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13-8-7-9-14(2)18(13)20(15(3)19(22)23)17(21)12-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,22,23)
InChIKeyDXGQLQXGTYPVJL-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benalaxyl
CID 51369
Metolachlor OA
CID 15842092
Benalaxyl-M
CID 176648
alachlor OXA
CID 14924483
N-(malonyl)-N-(2,6-xylyl)-DL-alanine
CID 13456436
Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate
CID 13456437
rac-Metalaxyl Carboxylic Acid
CID 13073467
(R)-Metalaxyl acid
CID 57183928
N-(Carboxycarbonyl)-N-(2-ethyl-6-methylphenyl)-L-alanine
CID 71312482
(2R)-2-(N-(2-Hydroxyacetyl)-2,6-dimethylanilino)propanoic acid
CID 139594922
(2R)-2-(2,6-dimethyl-N-oxaloanilino)propanoic acid
CID 139595050
2-[N-(Carboxymethyl)-2,6-dimethylanilino]-2-oxoacetic acid
CID 139596232

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid?
The IUPAC name of 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid (CID 18427347) is 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid.
What is the SMILES notation for 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid?
The canonical SMILES for 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid is Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)O.
What is the InChIKey of 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid?
The InChIKey is DXGQLQXGTYPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-8-7-9-14(2)18(13)20(15(3)19(22)23)17(21)12-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid?
2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoic acid is sourced from PubChem (CID 18427347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).