N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide

C16H17N3O4 — CID 3273418

IUPACN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NN=C(C)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-11(14-7-4-8-23-14)18-19-15(20)10-17-16(21)12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXBKOLRZUXWZUBS-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.56
Rot. Bonds6

About N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide

N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 3273418) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
PubChem CID3273418
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NN=C(C)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-11(14-7-4-8-23-14)18-19-15(20)10-17-16(21)12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXBKOLRZUXWZUBS-UHFFFAOYSA-N
XLogP1.56
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.56
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
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]-2-(4-methoxyphenyl)acetamide
CID 3790298
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]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
(E)-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 24816776
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
[4-[[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4660927
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide (CID 3273418) is N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)NN=C(C)c2ccco2)c1.
What is the InChIKey of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is XBKOLRZUXWZUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11(14-7-4-8-23-14)18-19-15(20)10-17-16(21)12-5-3-6-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide?
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 315.33 g/mol, XLogP of 1.56, 6 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]-3-methoxybenzamide is sourced from PubChem (CID 3273418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).