2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid

C20H20N2O5 — CID 119253821

IUPAC2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C20H20N2O5/c1-20(2,19(24)25)14-5-7-15(8-6-14)22-18(23)12-27-16-9-4-13(11-21)10-17(16)26-3/h4-10H,12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVEKCRMNPUZVKNN-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253821) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID119253821
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C20H20N2O5/c1-20(2,19(24)25)14-5-7-15(8-6-14)22-18(23)12-27-16-9-4-13(11-21)10-17(16)26-3/h4-10H,12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyVEKCRMNPUZVKNN-UHFFFAOYSA-N
XLogP2.95
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
4-[2-(4-tert-butylphenyl)-2-oxoethoxy]-3-methoxybenzonitrile
CID 7252104
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid (CID 119253821) is 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid is COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is VEKCRMNPUZVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(2,19(24)25)14-5-7-15(8-6-14)22-18(23)12-27-16-9-4-13(11-21)10-17(16)26-3/h4-10H,12H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).