2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid

C19H21NO4 — CID 119196911

IUPAC2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)N(CC(=O)O)Cc2ccccc2)ccc1C
InChIInChI=1S/C19H21NO4/c1-14-8-9-16(10-17(14)24-2)11-18(21)20(13-19(22)23)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyLCHZKZMJPNYUHW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds7

About 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid

2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid (PubChem CID 119196911) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
PubChem CID119196911
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)N(CC(=O)O)Cc2ccccc2)ccc1C
InChIInChI=1S/C19H21NO4/c1-14-8-9-16(10-17(14)24-2)11-18(21)20(13-19(22)23)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyLCHZKZMJPNYUHW-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid
CID 110165717
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid (CID 119196911) is 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid is COc1cc(CC(=O)N(CC(=O)O)Cc2ccccc2)ccc1C.
What is the InChIKey of 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
The InChIKey is LCHZKZMJPNYUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-8-9-16(10-17(14)24-2)11-18(21)20(13-19(22)23)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid?
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119196911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).