2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C20H16N4O7 — CID 41300970

IUPAC2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O7/c1-13-6-8-19(17(10-13)24(28)29)30-12-20(25)22-21-11-14-7-9-18(31-14)15-4-2-3-5-16(15)23(26)27/h2-11H,12H2,1H3,(H,22,25)/b21-11+
InChIKeyGDYJZJRUBZLBCJ-SRZZPIQSSA-N
MW424.37 g/mol
LogP3.60
Rot. Bonds8

About 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 41300970) has the molecular formula C20H16N4O7 and a molecular weight of 424.37 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID41300970
Molecular FormulaC20H16N4O7
Molecular Weight424.37 g/mol
Exact Mass424.10
IUPAC Name2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O7/c1-13-6-8-19(17(10-13)24(28)29)30-12-20(25)22-21-11-14-7-9-18(31-14)15-4-2-3-5-16(15)23(26)27/h2-11H,12H2,1H3,(H,22,25)/b21-11+
InChIKeyGDYJZJRUBZLBCJ-SRZZPIQSSA-N
XLogP3.60
TPSA150.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-[(E)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 6886171
sodium 5-[[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151871
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 38094420
2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3947681
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180889
2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6871801
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 17018827
2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7373569
2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758
2-(2-methoxyanilino)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 50930001
3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 41031515

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 41300970) is 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is GDYJZJRUBZLBCJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H16N4O7/c1-13-6-8-19(17(10-13)24(28)29)30-12-20(25)22-21-11-14-7-9-18(31-14)15-4-2-3-5-16(15)23(26)27/h2-11H,12H2,1H3,(H,22,25)/b21-11+.
What are the key properties of 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 424.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 41300970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).