2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid

C21H25NO5 — CID 119253837

IUPAC2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(COC(C)C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C21H25NO5/c1-14(27-13-15-6-5-7-18(12-15)26-4)19(23)22-17-10-8-16(9-11-17)21(2,3)20(24)25/h5-12,14H,13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyQFWLREQTEXVHLO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.60
Rot. Bonds8

About 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid

2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid (PubChem CID 119253837) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
PubChem CID119253837
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(COC(C)C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C21H25NO5/c1-14(27-13-15-6-5-7-18(12-15)26-4)19(23)22-17-10-8-16(9-11-17)21(2,3)20(24)25/h5-12,14H,13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyQFWLREQTEXVHLO-UHFFFAOYSA-N
XLogP3.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
CID 38938953
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86986127
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid (CID 119253837) is 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid is COc1cccc(COC(C)C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is QFWLREQTEXVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14(27-13-15-6-5-7-18(12-15)26-4)19(23)22-17-10-8-16(9-11-17)21(2,3)20(24)25/h5-12,14H,13H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid?
2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 371.43 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).