2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid

C27H23NO3 — CID 91241436

IUPAC2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid
SMILESC=C(NOCc1ccc2ccccc2c1)c1ccc(-c2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C27H23NO3/c1-19(28-31-18-21-9-10-23-6-2-3-7-25(23)16-21)22-11-13-24(14-12-22)26-8-4-5-20(15-26)17-27(29)30/h2-16,28H,1,17-18H2,(H,29,30)
InChIKeyXCNDEZUGBHYPKP-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.83
Rot. Bonds8

About 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid

2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid (PubChem CID 91241436) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid
PubChem CID91241436
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid
SMILESC=C(NOCc1ccc2ccccc2c1)c1ccc(-c2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C27H23NO3/c1-19(28-31-18-21-9-10-23-6-2-3-7-25(23)16-21)22-11-13-24(14-12-22)26-8-4-5-20(15-26)17-27(29)30/h2-16,28H,1,17-18H2,(H,29,30)
InChIKeyXCNDEZUGBHYPKP-UHFFFAOYSA-N
XLogP5.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
4-[[4-[1-[(4-phenylphenyl)methoxyamino]ethenyl]phenyl]methylamino]butanoic acid
CID 91232093
2-[3-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219180
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
2-[3-[4-[C-methyl-N-[(4-propan-2-ylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 72534054
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid (CID 91241436) is 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid is C=C(NOCc1ccc2ccccc2c1)c1ccc(-c2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid?
The InChIKey is XCNDEZUGBHYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-19(28-31-18-21-9-10-23-6-2-3-7-25(23)16-21)22-11-13-24(14-12-22)26-8-4-5-20(15-26)17-27(29)30/h2-16,28H,1,17-18H2,(H,29,30).
What are the key properties of 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid?
2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid has a molecular weight of 409.49 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-(naphthalen-2-ylmethoxyamino)ethenyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 91241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).