4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid

C22H27NO5 — CID 154635765

IUPAC4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCOCc1ccccc1)CC(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO5/c24-21(25)12-7-13-23(14-15-27-17-19-8-3-1-4-9-19)16-22(26)28-18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,25)
InChIKeyCFUPHFSZXACYOA-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.11
Rot. Bonds13

About 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid

4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid (PubChem CID 154635765) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid
PubChem CID154635765
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCOCc1ccccc1)CC(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO5/c24-21(25)12-7-13-23(14-15-27-17-19-8-3-1-4-9-19)16-22(26)28-18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,25)
InChIKeyCFUPHFSZXACYOA-UHFFFAOYSA-N
XLogP3.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-carboxypropyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoic acid
CID 172554292
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
benzyl 4-[(4-oxo-4-phenylmethoxybutyl)-(3-oxo-3-phenylmethoxypropyl)amino]butanoate
CID 134252022
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
benzyl 4-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 135337820
4-[2-(3-oxo-3-phenylmethoxypropoxy)ethoxy]butanoic acid
CID 146657056
benzyl 2-[6-(methylamino)hexyl-(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 59502420
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[2-[2-[(2-oxo-2-phenylmethoxyethyl)-phenylmethoxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetate
CID 11104280

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid?
The IUPAC name of 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid (CID 154635765) is 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid is O=C(O)CCCN(CCOCc1ccccc1)CC(=O)OCc1ccccc1.
What is the InChIKey of 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid?
The InChIKey is CFUPHFSZXACYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c24-21(25)12-7-13-23(14-15-27-17-19-8-3-1-4-9-19)16-22(26)28-18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,25).
What are the key properties of 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid?
4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid has a molecular weight of 385.46 g/mol, XLogP of 3.11, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-2-phenylmethoxyethyl)-(2-phenylmethoxyethyl)amino]butanoic acid is sourced from PubChem (CID 154635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).