N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide

C16H16N4O5 — CID 3793255

IUPACN-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C16H16N4O5/c21-16(15-2-1-7-25-15)18-17-11-12-3-4-13(14(10-12)20(22)23)19-5-8-24-9-6-19/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)
InChIKeyVEPZDHHCODMQLX-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide

N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 3793255) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
PubChem CID3793255
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C16H16N4O5/c21-16(15-2-1-7-25-15)18-17-11-12-3-4-13(14(10-12)20(22)23)19-5-8-24-9-6-19/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)
InChIKeyVEPZDHHCODMQLX-UHFFFAOYSA-N
XLogP1.79
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.79
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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Related Compounds

2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6878496
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015638
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
CID 126018279
N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide
CID 5347393
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 4836900
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-4-morpholin-4-yl-3-nitrobenzamide
CID 136900689
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126016119
(2S)-N-benzyl-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxypropanamide
CID 7550433
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide (CID 3793255) is N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VEPZDHHCODMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c21-16(15-2-1-7-25-15)18-17-11-12-3-4-13(14(10-12)20(22)23)19-5-8-24-9-6-19/h1-4,7,10-11H,5-6,8-9H2,(H,18,21).
What are the key properties of N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 3793255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).