N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide

C14H19N3O3 — CID 6113564

IUPACN'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\C1CCCCC1
InChIInChI=1S/C14H19N3O3/c18-13(15-10-12-7-4-8-20-12)14(19)17-16-9-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,15,18)(H,17,19)/b16-9-
InChIKeyDYHJBFOBVBHQLC-SXGWCWSVSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds4

About N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 6113564) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID6113564
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\C1CCCCC1
InChIInChI=1S/C14H19N3O3/c18-13(15-10-12-7-4-8-20-12)14(19)17-16-9-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,15,18)(H,17,19)/b16-9-
InChIKeyDYHJBFOBVBHQLC-SXGWCWSVSA-N
XLogP1.58
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'-(propan-2-ylideneamino)oxamide
CID 21211556
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 9352884
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 3639145
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
N-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
CID 9352807
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 6113564) is N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)N/N=C\C1CCCCC1.
What is the InChIKey of N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is DYHJBFOBVBHQLC-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(15-10-12-7-4-8-20-12)14(19)17-16-9-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,15,18)(H,17,19)/b16-9-.
What are the key properties of N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 277.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 6113564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).