2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid

C20H21NO4 — CID 119183964

IUPAC2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
SMILESCc1ccccc1C1(CNC(=O)c2cccc(OCC(=O)O)c2)CC1
InChIInChI=1S/C20H21NO4/c1-14-5-2-3-8-17(14)20(9-10-20)13-21-19(24)15-6-4-7-16(11-15)25-12-18(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyUQSWUAOKDJSFDL-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.92
Rot. Bonds7

About 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid

2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119183964) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
PubChem CID119183964
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
SMILESCc1ccccc1C1(CNC(=O)c2cccc(OCC(=O)O)c2)CC1
InChIInChI=1S/C20H21NO4/c1-14-5-2-3-8-17(14)20(9-10-20)13-21-19(24)15-6-4-7-16(11-15)25-12-18(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyUQSWUAOKDJSFDL-UHFFFAOYSA-N
XLogP2.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
2-[3-[(4-methylsulfanyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119186761
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid (CID 119183964) is 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid is Cc1ccccc1C1(CNC(=O)c2cccc(OCC(=O)O)c2)CC1.
What is the InChIKey of 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is UQSWUAOKDJSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-5-2-3-8-17(14)20(9-10-20)13-21-19(24)15-6-4-7-16(11-15)25-12-18(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid?
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119183964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).