N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

C22H20N4O6 — CID 3528949

IUPACN-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C22H20N4O6/c1-14-3-5-15(6-4-14)22(28)23-13-21(27)25-24-12-17-8-10-20(32-17)18-11-16(26(29)30)7-9-19(18)31-2/h3-12H,13H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyLGMGPVNXLDKYFK-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.05
Rot. Bonds8

About N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 3528949) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
PubChem CID3528949
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC NameN-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C22H20N4O6/c1-14-3-5-15(6-4-14)22(28)23-13-21(27)25-24-12-17-8-10-20(32-17)18-11-16(26(29)30)7-9-19(18)31-2/h3-12H,13H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyLGMGPVNXLDKYFK-UHFFFAOYSA-N
XLogP3.05
TPSA136.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126227166
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479
2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126385571
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 17018827

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (CID 3528949) is N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)o1.
What is the InChIKey of N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is LGMGPVNXLDKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-14-3-5-15(6-4-14)22(28)23-13-21(27)25-24-12-17-8-10-20(32-17)18-11-16(26(29)30)7-9-19(18)31-2/h3-12H,13H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 436.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 3528949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).