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

C19H21NO5 — CID 20991308

IUPAC3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccccc1NC(=O)c1ccc(OCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-14-10-8-13(9-11-14)17(21)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyIUOZLBZAVCZAPL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.44
Rot. Bonds7

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

3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 20991308) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
PubChem CID20991308
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccccc1NC(=O)c1ccc(OCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-14-10-8-13(9-11-14)17(21)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyIUOZLBZAVCZAPL-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-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 22682919
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (CID 20991308) is 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is COc1ccccc1NC(=O)c1ccc(OCC(C)(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is IUOZLBZAVCZAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,18(22)23)12-25-14-10-8-13(9-11-14)17(21)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
3-[4-[(2-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-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 20991308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).