2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C23H17N3O5 — CID 1237523

IUPAC2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H17N3O5/c27-23(15-30-20-9-8-16-4-1-2-5-17(16)13-20)25-24-14-21-10-11-22(31-21)18-6-3-7-19(12-18)26(28)29/h1-14H,15H2,(H,25,27)
InChIKeyADSYGQBZPZAEJS-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.54
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 1237523) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID1237523
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H17N3O5/c27-23(15-30-20-9-8-16-4-1-2-5-17(16)13-20)25-24-14-21-10-11-22(31-21)18-6-3-7-19(12-18)26(28)29/h1-14H,15H2,(H,25,27)
InChIKeyADSYGQBZPZAEJS-UHFFFAOYSA-N
XLogP4.54
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.54
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

2-(4-chlorophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 7035809
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 56693829
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-propoxybenzamide
CID 133169510
2-(4-tert-butylphenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6898636
2-(3,4-dimethylphenoxy)-N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6868049
3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6196621
2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6871801
2-(4-bromonaphthalen-1-yl)-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3520761
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 1237523) is 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is ADSYGQBZPZAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-23(15-30-20-9-8-16-4-1-2-5-17(16)13-20)25-24-14-21-10-11-22(31-21)18-6-3-7-19(12-18)26(28)29/h1-14H,15H2,(H,25,27).
What are the key properties of 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 415.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 1237523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).