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

C20H23NO4 — CID 119182902

IUPAC2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
SMILESCc1ccccc1C(C)(C)CNC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-14-7-4-5-10-17(14)20(2,3)13-21-19(24)15-8-6-9-16(11-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLSMMPISGXDENEJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.17
Rot. Bonds7

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

2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119182902) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
PubChem CID119182902
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
SMILESCc1ccccc1C(C)(C)CNC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-14-7-4-5-10-17(14)20(2,3)13-21-19(24)15-8-6-9-16(11-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLSMMPISGXDENEJ-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
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 86866211
3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 120552782
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid (CID 119182902) is 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid is Cc1ccccc1C(C)(C)CNC(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is LSMMPISGXDENEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-7-4-5-10-17(14)20(2,3)13-21-19(24)15-8-6-9-16(11-15)25-12-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[2-methyl-2-(2-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-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).