2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid

C20H23NO4 — CID 119347399

IUPAC2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CCOCc1ccccc1
InChIInChI=1S/C20H23NO4/c22-19(12-14-25-16-18-9-5-2-6-10-18)21(15-20(23)24)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,23,24)
InChIKeyQKCQHIPIGVZZIC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.75
Rot. Bonds10

About 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid

2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid (PubChem CID 119347399) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
PubChem CID119347399
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CCOCc1ccccc1
InChIInChI=1S/C20H23NO4/c22-19(12-14-25-16-18-9-5-2-6-10-18)21(15-20(23)24)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,23,24)
InChIKeyQKCQHIPIGVZZIC-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.75
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-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[(3,4-difluorophenyl)methyl-(3-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207861
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
2-[4-phenylmethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 119198503

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid (CID 119347399) is 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)CCOCc1ccccc1.
What is the InChIKey of 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid?
The InChIKey is QKCQHIPIGVZZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(12-14-25-16-18-9-5-2-6-10-18)21(15-20(23)24)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,23,24).
What are the key properties of 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid?
2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid is sourced from PubChem (CID 119347399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).