2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid

C20H23NO4 — CID 119347663

IUPAC2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C20H23NO4/c1-15-8-9-18(25-2)17(12-15)13-19(22)21(14-20(23)24)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyHZZMFFZHNLWHSO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.70
Rot. Bonds8

About 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347663) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347663
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C20H23NO4/c1-15-8-9-18(25-2)17(12-15)13-19(22)21(14-20(23)24)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyHZZMFFZHNLWHSO-UHFFFAOYSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347603
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347663) is 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid is COc1ccc(C)cc1CC(=O)N(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is HZZMFFZHNLWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-8-9-18(25-2)17(12-15)13-19(22)21(14-20(23)24)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).