4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid

C26H28N2O3 — CID 91232093

IUPAC4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid
SMILESC=C(NOCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCCC(=O)O)cc1
InChIInChI=1S/C26H28N2O3/c1-20(23-13-9-21(10-14-23)18-27-17-5-8-26(29)30)28-31-19-22-11-15-25(16-12-22)24-6-3-2-4-7-24/h2-4,6-7,9-16,27-28H,1,5,8,17-19H2,(H,29,30)
InChIKeyJYDGKEAWKJPUES-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.00
Rot. Bonds12

About 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid

4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid (PubChem CID 91232093) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid
PubChem CID91232093
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid
SMILESC=C(NOCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCCC(=O)O)cc1
InChIInChI=1S/C26H28N2O3/c1-20(23-13-9-21(10-14-23)18-27-17-5-8-26(29)30)28-31-19-22-11-15-25(16-12-22)24-6-3-2-4-7-24/h2-4,6-7,9-16,27-28H,1,5,8,17-19H2,(H,29,30)
InChIKeyJYDGKEAWKJPUES-UHFFFAOYSA-N
XLogP5.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[1-[[4-(3-methoxyphenyl)phenyl]methoxyamino]ethenyl]phenyl]methylamino]propanoic acid
CID 91349332
4-[(4-methoxycarbonylphenyl)methylamino]butanoic acid
CID 60782858
2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid
CID 91241436
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid
CID 82364295
[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
CID 155133296
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
benzyl 4-[(pentylamino)methyl]benzoate
CID 167312129
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
4-[(4-tert-butylphenyl)methylamino]butanoic acid
CID 16770044

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid?
The IUPAC name of 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid (CID 91232093) is 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid.
What is the SMILES notation for 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid?
The canonical SMILES for 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid is C=C(NOCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCCC(=O)O)cc1.
What is the InChIKey of 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid?
The InChIKey is JYDGKEAWKJPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20(23-13-9-21(10-14-23)18-27-17-5-8-26(29)30)28-31-19-22-11-15-25(16-12-22)24-6-3-2-4-7-24/h2-4,6-7,9-16,27-28H,1,5,8,17-19H2,(H,29,30).
What are the key properties of 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid?
4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid has a molecular weight of 416.52 g/mol, XLogP of 5.00, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid is sourced from PubChem (CID 91232093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).