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

C20H23NO5 — CID 20994472

IUPAC3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCCOc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-4-25-16-11-7-15(8-12-16)21-18(22)14-5-9-17(10-6-14)26-13-20(2,3)19(23)24/h5-12H,4,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXHIFRXFWFSFPCN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.83
Rot. Bonds8

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

3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 20994472) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
PubChem CID20994472
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCCOc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-4-25-16-11-7-15(8-12-16)21-18(22)14-5-9-17(10-6-14)26-13-20(2,3)19(23)24/h5-12H,4,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXHIFRXFWFSFPCN-UHFFFAOYSA-N
XLogP3.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 22682919
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (CID 20994472) is 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is CCOc1ccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is XHIFRXFWFSFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-25-16-11-7-15(8-12-16)21-18(22)14-5-9-17(10-6-14)26-13-20(2,3)19(23)24/h5-12H,4,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 20994472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).