2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid

C18H19NO4 — CID 118097919

IUPAC2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-12-4-6-13(7-5-12)16(20)19-14-8-10-15(11-9-14)23-18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUHDPSNMVDZVLDX-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.49
Rot. Bonds5

About 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid

2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid (PubChem CID 118097919) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
PubChem CID118097919
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-12-4-6-13(7-5-12)16(20)19-14-8-10-15(11-9-14)23-18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUHDPSNMVDZVLDX-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
CID 20994189
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid (CID 118097919) is 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid is Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid?
The InChIKey is UHDPSNMVDZVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-4-6-13(7-5-12)16(20)19-14-8-10-15(11-9-14)23-18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid?
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid is sourced from PubChem (CID 118097919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).