2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid

C20H23NO4 — CID 138057931

IUPAC2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
SMILESCc1cccc(C(C)(C)CNC(=O)c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14-5-4-6-16(11-14)20(2,3)13-21-19(24)15-7-9-17(10-8-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLEKHBPZLSVAHIA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.17
Rot. Bonds7

About 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid

2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid (PubChem CID 138057931) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
PubChem CID138057931
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
SMILESCc1cccc(C(C)(C)CNC(=O)c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14-5-4-6-16(11-14)20(2,3)13-21-19(24)15-7-9-17(10-8-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLEKHBPZLSVAHIA-UHFFFAOYSA-N
XLogP3.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055460
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
CID 167977502
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 75386126
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
CID 119757019
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid (CID 138057931) is 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid is Cc1cccc(C(C)(C)CNC(=O)c2ccc(OCC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is LEKHBPZLSVAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-5-4-6-16(11-14)20(2,3)13-21-19(24)15-7-9-17(10-8-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 138057931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).