N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C15H15N3O5 — CID 6286305

IUPACN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5/c1-10-3-6-14(13(7-10)18(20)21)22-9-15(19)17-16-8-12-5-4-11(2)23-12/h3-8H,9H2,1-2H3,(H,17,19)/b16-8-
InChIKeyOFBXKKLTZPQZKJ-PXNMLYILSA-N
MW317.30 g/mol
LogP2.33
Rot. Bonds6

About N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 6286305) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID6286305
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5/c1-10-3-6-14(13(7-10)18(20)21)22-9-15(19)17-16-8-12-5-4-11(2)23-12/h3-8H,9H2,1-2H3,(H,17,19)/b16-8-
InChIKeyOFBXKKLTZPQZKJ-PXNMLYILSA-N
XLogP2.33
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 6286305) is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is OFBXKKLTZPQZKJ-PXNMLYILSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-10-3-6-14(13(7-10)18(20)21)22-9-15(19)17-16-8-12-5-4-11(2)23-12/h3-8H,9H2,1-2H3,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 6286305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).