(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate

C17H15N2O4- — CID 6957334

IUPAC(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
SMILESC[C@@H](Oc1ccc(/C=N\NC(=O)c2ccccc2)cc1)C(=O)[O-]
InChIInChI=1S/C17H16N2O4/c1-12(17(21)22)23-15-9-7-13(8-10-15)11-18-19-16(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/b18-11-/t12-/m1/s1
InChIKeyIMXVSAUGWFGBLC-OTWJJXBCSA-M
MW311.32 g/mol
LogP0.97
Rot. Bonds6

About (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate

(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate (PubChem CID 6957334) has the molecular formula C17H15N2O4- and a molecular weight of 311.32 g/mol. Its IUPAC name is (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate.

Molecular Properties

Compound Name(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
PubChem CID6957334
Molecular FormulaC17H15N2O4-
Molecular Weight311.32 g/mol
Exact Mass311.10
IUPAC Name(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
SMILESC[C@@H](Oc1ccc(/C=N\NC(=O)c2ccccc2)cc1)C(=O)[O-]
InChIInChI=1S/C17H16N2O4/c1-12(17(21)22)23-15-9-7-13(8-10-15)11-18-19-16(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/b18-11-/t12-/m1/s1
InChIKeyIMXVSAUGWFGBLC-OTWJJXBCSA-M
XLogP0.97
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate?
The IUPAC name of (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate (CID 6957334) is (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate.
What is the SMILES notation for (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate?
The canonical SMILES for (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate is C[C@@H](Oc1ccc(/C=N\NC(=O)c2ccccc2)cc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate?
The InChIKey is IMXVSAUGWFGBLC-OTWJJXBCSA-M. The full InChI is InChI=1S/C17H16N2O4/c1-12(17(21)22)23-15-9-7-13(8-10-15)11-18-19-16(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/b18-11-/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate?
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate has a molecular weight of 311.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate is sourced from PubChem (CID 6957334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).