4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide

C16H16N2O3 — CID 78537225

IUPAC4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFCMTCZOJPQOJI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.32
Rot. Bonds4

About 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide

4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 78537225) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID78537225
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFCMTCZOJPQOJI-UHFFFAOYSA-N
XLogP2.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.32
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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Related Compounds

N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4629485
4-tert-butyl-N-[4-[[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]benzamide
CID 4510733
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
(E)-3-(furan-2-yl)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]prop-2-enamide
CID 6233572
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide (CID 78537225) is 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is LFCMTCZOJPQOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide?
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 284.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 78537225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).