3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid

C19H21NO5 — CID 22682919

IUPAC3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-16-8-4-13(5-9-16)17(21)20-14-6-10-15(24-3)11-7-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyONALNANQDOZSOA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.44
Rot. Bonds7

About 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid

3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 22682919) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
PubChem CID22682919
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-16-8-4-13(5-9-16)17(21)20-14-6-10-15(24-3)11-7-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyONALNANQDOZSOA-UHFFFAOYSA-N
XLogP3.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (CID 22682919) is 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is COc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is ONALNANQDOZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-16-8-4-13(5-9-16)17(21)20-14-6-10-15(24-3)11-7-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 22682919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).