N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide

C21H19N3O5 — CID 126364062

IUPACN-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)11-21(25)23-22-13-17-8-10-19(29-17)18-9-7-16(24(26)27)12-20(18)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-13-
InChIKeyIDAQXASEYBAPJO-XKZIYDEJSA-N
MW393.40 g/mol
LogP3.86
Rot. Bonds7

About N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide

N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 126364062) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID126364062
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)11-21(25)23-22-13-17-8-10-19(29-17)18-9-7-16(24(26)27)12-20(18)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-13-
InChIKeyIDAQXASEYBAPJO-XKZIYDEJSA-N
XLogP3.86
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126227166
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
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311
N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3528949
N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060930
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide (CID 126364062) is N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide is COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)o1.
What is the InChIKey of N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is IDAQXASEYBAPJO-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)11-21(25)23-22-13-17-8-10-19(29-17)18-9-7-16(24(26)27)12-20(18)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide?
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 126364062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).