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

C14H13N3O5 — CID 886623

IUPACN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(C)=O)o1
InChIInChI=1S/C14H13N3O5/c1-9(18)16-15-8-11-4-6-13(22-11)12-5-3-10(17(19)20)7-14(12)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyDBBSKXPUCFMOPJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.33
Rot. Bonds5

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

N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 886623) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID886623
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(C)=O)o1
InChIInChI=1S/C14H13N3O5/c1-9(18)16-15-8-11-4-6-13(22-11)12-5-3-10(17(19)20)7-14(12)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyDBBSKXPUCFMOPJ-UHFFFAOYSA-N
XLogP2.33
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.33
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-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 21214593
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060930
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3436539
5-tert-butyl-N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5457793
2-hydroxy-5-[2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 50885197
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 886623) is N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(C)=O)o1.
What is the InChIKey of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is DBBSKXPUCFMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-9(18)16-15-8-11-4-6-13(22-11)12-5-3-10(17(19)20)7-14(12)21-2/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 303.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).