N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide

C14H19N3O3 — CID 9352797

IUPACN-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
SMILESCC1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-4-6-11(7-5-10)16-17-14(19)13(18)15-9-12-3-2-8-20-12/h2-3,8,10H,4-7,9H2,1H3,(H,15,18)(H,17,19)/b16-11-
InChIKeyJHGVPZLOIODFOU-WJDWOHSUSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide

N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide (PubChem CID 9352797) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
PubChem CID9352797
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
SMILESCC1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-4-6-11(7-5-10)16-17-14(19)13(18)15-9-12-3-2-8-20-12/h2-3,8,10H,4-7,9H2,1H3,(H,15,18)(H,17,19)/b16-11-
InChIKeyJHGVPZLOIODFOU-WJDWOHSUSA-N
XLogP1.58
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 9352884
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159946
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
CID 75405456
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 6113564
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534194
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
2-(2,6-dimethylmorpholin-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 108503950
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide (CID 9352797) is N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide is CC1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide?
The InChIKey is JHGVPZLOIODFOU-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-6-11(7-5-10)16-17-14(19)13(18)15-9-12-3-2-8-20-12/h2-3,8,10H,4-7,9H2,1H3,(H,15,18)(H,17,19)/b16-11-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide?
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide has a molecular weight of 277.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide is sourced from PubChem (CID 9352797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).