2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid

C19H21NO3 — CID 120528707

IUPAC2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-4-13-7-5-6-8-16(13)17(21)20-15-11-9-14(10-12-15)19(2,3)18(22)23/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyLYGSPMSCLJZXGF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.86
Rot. Bonds5

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

2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 120528707) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID120528707
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-4-13-7-5-6-8-16(13)17(21)20-15-11-9-14(10-12-15)19(2,3)18(22)23/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyLYGSPMSCLJZXGF-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
2-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 131924834
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
CID 115295759
2-butyl-N-phenylbenzamide
CID 3695058
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
2-(fluoromethyl)-N-phenylbenzamide
CID 141101349
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid (CID 120528707) is 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid is CCc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is LYGSPMSCLJZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-13-7-5-6-8-16(13)17(21)20-15-11-9-14(10-12-15)19(2,3)18(22)23/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120528707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).