2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C20H24N4O4 — CID 126385571

IUPAC2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)CNC2CCCCC2)o1
InChIInChI=1S/C20H24N4O4/c1-14-7-8-16(24(26)27)11-18(14)19-10-9-17(28-19)12-22-23-20(25)13-21-15-5-3-2-4-6-15/h7-12,15,21H,2-6,13H2,1H3,(H,23,25)/b22-12-
InChIKeyCTRBNFXTXBCCIH-UUYOSTAYSA-N
MW384.44 g/mol
LogP3.54
Rot. Bonds7

About 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126385571) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126385571
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)CNC2CCCCC2)o1
InChIInChI=1S/C20H24N4O4/c1-14-7-8-16(24(26)27)11-18(14)19-10-9-17(28-19)12-22-23-20(25)13-21-15-5-3-2-4-6-15/h7-12,15,21H,2-6,13H2,1H3,(H,23,25)/b22-12-
InChIKeyCTRBNFXTXBCCIH-UUYOSTAYSA-N
XLogP3.54
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
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-(cyclohexylamino)-N-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126381205
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
2-(3,5-dimethylphenoxy)-N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 25247309
ethyl 3-[5-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126384361
2-(3,4-dimethylphenoxy)-N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6868049
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 21214593
N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3528949
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657688
3-acetamido-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6293347

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 126385571) is 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide is Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)CNC2CCCCC2)o1.
What is the InChIKey of 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is CTRBNFXTXBCCIH-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-7-8-16(24(26)27)11-18(14)19-10-9-17(28-19)12-22-23-20(25)13-21-15-5-3-2-4-6-15/h7-12,15,21H,2-6,13H2,1H3,(H,23,25)/b22-12-.
What are the key properties of 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).