2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid

C20H23NO4 — CID 119253847

IUPAC2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-14(25-13-15-7-5-4-6-8-15)18(22)21-17-11-9-16(10-12-17)20(2,3)19(23)24/h4-12,14H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyUMGGOMQUSUOQJS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.59
Rot. Bonds7

About 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid

2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid (PubChem CID 119253847) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
PubChem CID119253847
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-14(25-13-15-7-5-4-6-8-15)18(22)21-17-11-9-16(10-12-17)20(2,3)19(23)24/h4-12,14H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyUMGGOMQUSUOQJS-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 119253837
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
CID 55649917
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 119253867
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
CID 87026041
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid (CID 119253847) is 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid is CC(OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid?
The InChIKey is UMGGOMQUSUOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(25-13-15-7-5-4-6-8-15)18(22)21-17-11-9-16(10-12-17)20(2,3)19(23)24/h4-12,14H,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid?
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid is sourced from PubChem (CID 119253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).