N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C15H15N3O5 — CID 2833196

IUPACN-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H15N3O5/c1-10-5-6-14(12(8-10)18(20)21)23-9-15(19)17-16-11(2)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyHDNMHMYABKYDPV-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 2833196) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID2833196
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H15N3O5/c1-10-5-6-14(12(8-10)18(20)21)23-9-15(19)17-16-11(2)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyHDNMHMYABKYDPV-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
N-[3-[(E)-C-methyl-N-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]cyclopentanecarboxamide
CID 17349536
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6248098
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
CID 50905836
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 2833196) is N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is CC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is HDNMHMYABKYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-10-5-6-14(12(8-10)18(20)21)23-9-15(19)17-16-11(2)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2833196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).