N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide

C18H20N4O5 — CID 6862369

IUPACN-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1
InChIInChI=1S/C18H20N4O5/c1-13-2-3-14(22(24)25)10-16(13)17-5-4-15(27-17)11-19-20-18(23)12-21-6-8-26-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/b19-11+
InChIKeyOMLLGNQJKXQVKT-YBFXNURJSA-N
MW372.38 g/mol
LogP1.95
Rot. Bonds6

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

N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 6862369) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID6862369
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1
InChIInChI=1S/C18H20N4O5/c1-13-2-3-14(22(24)25)10-16(13)17-5-4-15(27-17)11-19-20-18(23)12-21-6-8-26-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/b19-11+
InChIKeyOMLLGNQJKXQVKT-YBFXNURJSA-N
XLogP1.95
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide (CID 6862369) is N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide is Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1.
What is the InChIKey of N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is OMLLGNQJKXQVKT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-13-2-3-14(22(24)25)10-16(13)17-5-4-15(27-17)11-19-20-18(23)12-21-6-8-26-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/b19-11+.
What are the key properties of N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 372.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6862369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).