N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C17H19N3O4 — CID 3790298

IUPACN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)NN=C(C)c2ccco2)cc1
InChIInChI=1S/C17H19N3O4/c1-12(15-4-3-9-24-15)19-20-17(22)11-18-16(21)10-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyQDJCWEMDDQIWPS-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 3790298) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID3790298
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)NN=C(C)c2ccco2)cc1
InChIInChI=1S/C17H19N3O4/c1-12(15-4-3-9-24-15)19-20-17(22)11-18-16(21)10-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyQDJCWEMDDQIWPS-UHFFFAOYSA-N
XLogP1.49
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 3757889
(E)-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 24816776
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 3273418
N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6387299
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 3716256
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 3790298) is N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)NN=C(C)c2ccco2)cc1.
What is the InChIKey of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QDJCWEMDDQIWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(15-4-3-9-24-15)19-20-17(22)11-18-16(21)10-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3790298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).