3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid

C23H24N4O2 — CID 70211930

IUPAC3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid
SMILESNN/C=N/c1cccc(CNc2cccc(C(CC(=O)O)c3ccccc3)c2)c1
InChIInChI=1S/C23H24N4O2/c24-27-16-26-20-10-4-6-17(12-20)15-25-21-11-5-9-19(13-21)22(14-23(28)29)18-7-2-1-3-8-18/h1-13,16,22,25H,14-15,24H2,(H,26,27)(H,28,29)
InChIKeyQFUWXMUGHCRHBM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.03
Rot. Bonds9

About 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid

3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid (PubChem CID 70211930) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid
PubChem CID70211930
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid
SMILESNN/C=N/c1cccc(CNc2cccc(C(CC(=O)O)c3ccccc3)c2)c1
InChIInChI=1S/C23H24N4O2/c24-27-16-26-20-10-4-6-17(12-20)15-25-21-11-5-9-19(13-21)22(14-23(28)29)18-7-2-1-3-8-18/h1-13,16,22,25H,14-15,24H2,(H,26,27)(H,28,29)
InChIKeyQFUWXMUGHCRHBM-UHFFFAOYSA-N
XLogP4.03
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid?
The IUPAC name of 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid (CID 70211930) is 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid is NN/C=N/c1cccc(CNc2cccc(C(CC(=O)O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid?
The InChIKey is QFUWXMUGHCRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-27-16-26-20-10-4-6-17(12-20)15-25-21-11-5-9-19(13-21)22(14-23(28)29)18-7-2-1-3-8-18/h1-13,16,22,25H,14-15,24H2,(H,26,27)(H,28,29).
What are the key properties of 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid?
3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid has a molecular weight of 388.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid is sourced from PubChem (CID 70211930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).