5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide

C18H20N2O2 — CID 4594839

IUPAC5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
SMILESCc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-12-17(22-13)18(21)20-19-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3,(H,20,21)/b19-16-
InChIKeyAUEYZLNXJXQUTQ-MNDPQUGUSA-N
MW296.37 g/mol
LogP4.03
Rot. Bonds3

About 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide

5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide (PubChem CID 4594839) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
PubChem CID4594839
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
SMILESCc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-12-17(22-13)18(21)20-19-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3,(H,20,21)/b19-16-
InChIKeyAUEYZLNXJXQUTQ-MNDPQUGUSA-N
XLogP4.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide (CID 4594839) is 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide is Cc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide?
The InChIKey is AUEYZLNXJXQUTQ-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-12-17(22-13)18(21)20-19-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3,(H,20,21)/b19-16-.
What are the key properties of 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide?
5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide is sourced from PubChem (CID 4594839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).