2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid

C19H21NO4 — CID 119196933

IUPAC2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)COCCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(15-24-12-11-16-7-3-1-4-8-16)20(14-19(22)23)13-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
InChIKeyIPDQYKIKYYOLTH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds9

About 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid

2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid (PubChem CID 119196933) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
PubChem CID119196933
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)COCCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(15-24-12-11-16-7-3-1-4-8-16)20(14-19(22)23)13-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
InChIKeyIPDQYKIKYYOLTH-UHFFFAOYSA-N
XLogP2.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 119197011
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119191395
2-[benzyl(4-ethoxybutanoyl)amino]acetic acid
CID 119196973
2-[(2-butoxyacetyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193563
2-[[2-(2-methoxyethoxy)acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197080
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
2-(4-phenylbutoxy)acetic acid
CID 24769508

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid (CID 119196933) is 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)COCCc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid?
The InChIKey is IPDQYKIKYYOLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(15-24-12-11-16-7-3-1-4-8-16)20(14-19(22)23)13-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23).
What are the key properties of 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid?
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119196933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).