N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide

C16H22N2O2 — CID 70440415

IUPACN'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide
SMILESCC/C=C/C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-5-6-12-14(19)18(16(2,3)4)17-15(20)13-10-8-7-9-11-13/h6-12H,5H2,1-4H3,(H,17,20)/b12-6+
InChIKeyXLMRVTHPKBLMHH-WUXMJOGZSA-N
MW274.36 g/mol
LogP2.92
Rot. Bonds3

About N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide

N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide (PubChem CID 70440415) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide
PubChem CID70440415
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide
SMILESCC/C=C/C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-5-6-12-14(19)18(16(2,3)4)17-15(20)13-10-8-7-9-11-13/h6-12H,5H2,1-4H3,(H,17,20)/b12-6+
InChIKeyXLMRVTHPKBLMHH-WUXMJOGZSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide?
The IUPAC name of N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide (CID 70440415) is N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide is CC/C=C/C(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide?
The InChIKey is XLMRVTHPKBLMHH-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-6-12-14(19)18(16(2,3)4)17-15(20)13-10-8-7-9-11-13/h6-12H,5H2,1-4H3,(H,17,20)/b12-6+.
What are the key properties of N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide?
N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide has a molecular weight of 274.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide is sourced from PubChem (CID 70440415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).