3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

C17H16N2O3 — CID 795407

IUPAC3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H16N2O3/c1-22-15-9-5-8-14(12-15)17(21)19-18-16(20)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,20)(H,19,21)/b11-10+
InChIKeyPJBHTCFXWHEYTO-ZHACJKMWSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds4

About 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (PubChem CID 795407) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
PubChem CID795407
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H16N2O3/c1-22-15-9-5-8-14(12-15)17(21)19-18-16(20)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,20)(H,19,21)/b11-10+
InChIKeyPJBHTCFXWHEYTO-ZHACJKMWSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The IUPAC name of 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (CID 795407) is 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is COc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The InChIKey is PJBHTCFXWHEYTO-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15-9-5-8-14(12-15)17(21)19-18-16(20)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,20)(H,19,21)/b11-10+.
What are the key properties of 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide has a molecular weight of 296.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).