N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide

C14H19N3O3 — CID 9352884

IUPACN-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCC/C(=N\NC(=O)C(=O)NCc2ccco2)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-5-11(8-10)16-17-14(19)13(18)15-9-12-6-3-7-20-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/b16-11+/t10-/m1/s1
InChIKeyBPBPGYXBFMIJKW-ILJRITOVSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide

N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide (PubChem CID 9352884) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
PubChem CID9352884
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCC/C(=N\NC(=O)C(=O)NCc2ccco2)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-5-11(8-10)16-17-14(19)13(18)15-9-12-6-3-7-20-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/b16-11+/t10-/m1/s1
InChIKeyBPBPGYXBFMIJKW-ILJRITOVSA-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'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159946
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
CID 7967526
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 6113564
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
CID 75405456
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639
1-benzyl-3-[(3-methylcyclohexylidene)amino]thiourea
CID 4136086
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
CID 6338711
N-(furan-2-ylmethyl)-2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111143803
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide (CID 9352884) is N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide is C[C@@H]1CCC/C(=N\NC(=O)C(=O)NCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The InChIKey is BPBPGYXBFMIJKW-ILJRITOVSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-2-5-11(8-10)16-17-14(19)13(18)15-9-12-6-3-7-20-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/b16-11+/t10-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-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'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide is sourced from PubChem (CID 9352884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).