N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide

C16H17N3O3 — CID 6392314

IUPACN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESC/C(=N/NC(=O)CNC(=O)Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-12(14-8-5-9-22-14)18-19-16(21)11-17-15(20)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-
InChIKeyVMFKZRGXOOXZJM-PDGQHHTCSA-N
MW299.33 g/mol
LogP1.48
Rot. Bonds6

About N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide

N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 6392314) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
PubChem CID6392314
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESC/C(=N/NC(=O)CNC(=O)Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-12(14-8-5-9-22-14)18-19-16(21)11-17-15(20)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-
InChIKeyVMFKZRGXOOXZJM-PDGQHHTCSA-N
XLogP1.48
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-benzyl-1-piperazinyl)-N'-[(E)-2-furylmethylidene]acetohydrazide
CID 6879025
2-Bromo-N-({N'-[(E)-(furan-2-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 9643866
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
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
CID 6888502
3-(4-butoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
CID 6889021
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-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide (CID 6392314) is N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is C/C(=N/NC(=O)CNC(=O)Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is VMFKZRGXOOXZJM-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12(14-8-5-9-22-14)18-19-16(21)11-17-15(20)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-.
What are the key properties of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 299.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 6392314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).