3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate

C17H18N3O3- — CID 7955313

IUPAC3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
SMILESCN(CCO)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O3/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(11-15)17(22)23/h2-8,11-12,19,21H,9-10H2,1H3,(H,22,23)/p-1/b18-12-
InChIKeyRADZOMHPESVYAM-PDGQHHTCSA-M
MW312.35 g/mol
LogP0.92
Rot. Bonds7

About 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7955313) has the molecular formula C17H18N3O3- and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
PubChem CID7955313
Molecular FormulaC17H18N3O3-
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
SMILESCN(CCO)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C17H19N3O3/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(11-15)17(22)23/h2-8,11-12,19,21H,9-10H2,1H3,(H,22,23)/p-1/b18-12-
InChIKeyRADZOMHPESVYAM-PDGQHHTCSA-M
XLogP0.92
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
4-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215811
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
(5S)-N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7431067
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate (CID 7955313) is 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate is CN(CCO)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1.
What is the InChIKey of 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is RADZOMHPESVYAM-PDGQHHTCSA-M. The full InChI is InChI=1S/C17H19N3O3/c1-20(9-10-21)16-7-5-13(6-8-16)12-18-19-15-4-2-3-14(11-15)17(22)23/h2-8,11-12,19,21H,9-10H2,1H3,(H,22,23)/p-1/b18-12-.
What are the key properties of 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate?
3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 312.35 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7955313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).