(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide

C18H19N3O3 — CID 6375344

IUPAC(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide
SMILESCC/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-2-16(14-7-4-3-5-8-14)20-21-18(23)13-19-17(22)11-10-15-9-6-12-24-15/h3-12H,2,13H2,1H3,(H,19,22)(H,21,23)/b11-10+,20-16+
InChIKeyKKJCTLPPKRJZDC-CMHBETPVSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide (PubChem CID 6375344) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide
PubChem CID6375344
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide
SMILESCC/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-2-16(14-7-4-3-5-8-14)20-21-18(23)13-19-17(22)11-10-15-9-6-12-24-15/h3-12H,2,13H2,1H3,(H,19,22)(H,21,23)/b11-10+,20-16+
InChIKeyKKJCTLPPKRJZDC-CMHBETPVSA-N
XLogP2.34
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzyl-1-piperazinyl)-N'-[(E)-2-furylmethylidene]acetohydrazide
CID 6879025
2-(4-benzylpiperazin-1-yl)-N'-[(2E)-3-(2-furyl)-2-methylprop-2-enylidene]acetohydrazide
CID 6342445
N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}-3-phenylacrylamide
CID 5333643
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
N-{2-[2-(2-furylmethylene)hydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9642248
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
N-(1-{[2-(2-furylmethylene)hydrazino]carbonyl}-3-methylbutyl)benzamide
CID 9602528
(2Z)-3-(2-furyl)-N-(2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-2-oxoethyl)acrylamide
CID 5808227
Hippuric (furfurylidene)hydrazide
CID 9555014
2-(cinnamoylamino)-N-ethyl-3-(2-furyl)acrylamide
CID 2296037
N-(furan-2-ylmethyl)-2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetamide
CID 5068264

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide (CID 6375344) is (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide is CC/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide?
The InChIKey is KKJCTLPPKRJZDC-CMHBETPVSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-16(14-7-4-3-5-8-14)20-21-18(23)13-19-17(22)11-10-15-9-6-12-24-15/h3-12H,2,13H2,1H3,(H,19,22)(H,21,23)/b11-10+,20-16+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide has a molecular weight of 325.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropylidene)hydrazinyl]ethyl]prop-2-enamide is sourced from PubChem (CID 6375344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).