(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide

C19H23N3O5 — CID 6283145

IUPAC(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-13(9-18(23)20-12-15-5-4-8-27-15)21-22-19(24)11-14-6-7-16(25-2)17(10-14)26-3/h4-8,10H,9,11-12H2,1-3H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyPCMKNTLWJTZZJV-BKUYFWCQSA-N
MW373.41 g/mol
LogP2.04
Rot. Bonds9

About (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide

(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide (PubChem CID 6283145) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
PubChem CID6283145
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-13(9-18(23)20-12-15-5-4-8-27-15)21-22-19(24)11-14-6-7-16(25-2)17(10-14)26-3/h4-8,10H,9,11-12H2,1-3H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyPCMKNTLWJTZZJV-BKUYFWCQSA-N
XLogP2.04
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111201806
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 2876719
(3Z)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 98156361
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide (CID 6283145) is (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide is COc1ccc(CC(=O)N/N=C(/C)CC(=O)NCc2ccco2)cc1OC.
What is the InChIKey of (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is PCMKNTLWJTZZJV-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13(9-18(23)20-12-15-5-4-8-27-15)21-22-19(24)11-14-6-7-16(25-2)17(10-14)26-3/h4-8,10H,9,11-12H2,1-3H3,(H,20,23)(H,22,24)/b21-13-.
What are the key properties of (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide?
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 373.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 6283145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).