N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide

C14H19N3O3 — CID 126011096

IUPACN-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H19N3O3/c18-13(16-11-6-3-1-2-4-7-11)14(19)17-15-10-12-8-5-9-20-12/h5,8-11H,1-4,6-7H2,(H,16,18)(H,17,19)/b15-10-
InChIKeyDELOCLKGGAXNOX-GDNBJRDFSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds3

About N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide

N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide (PubChem CID 126011096) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
PubChem CID126011096
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H19N3O3/c18-13(16-11-6-3-1-2-4-7-11)14(19)17-15-10-12-8-5-9-20-12/h5,8-11H,1-4,6-7H2,(H,16,18)(H,17,19)/b15-10-
InChIKeyDELOCLKGGAXNOX-GDNBJRDFSA-N
XLogP1.57
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 ≤ 51.57
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-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 5341260
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
CID 5375577
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
CID 2495861
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 5171062
N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
CID 2828440

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The IUPAC name of N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide (CID 126011096) is N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is O=C(N/N=C\c1ccco1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The InChIKey is DELOCLKGGAXNOX-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(16-11-6-3-1-2-4-7-11)14(19)17-15-10-12-8-5-9-20-12/h5,8-11H,1-4,6-7H2,(H,16,18)(H,17,19)/b15-10-.
What are the key properties of N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide has a molecular weight of 277.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 126011096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).