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

C17H25N3O3 — CID 2875468

IUPACN'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-
InChIKeyCAILFIJKSGLPIU-UYRXBGFRSA-N
MW319.40 g/mol
LogP2.60
Rot. Bonds3

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

N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 2875468) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide
PubChem CID2875468
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-
InChIKeyCAILFIJKSGLPIU-UYRXBGFRSA-N
XLogP2.60
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide (CID 2875468) is N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide is CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1.
What is the InChIKey of N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is CAILFIJKSGLPIU-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-.
What are the key properties of N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide?
N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 319.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylcyclohexylidene)amino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 2875468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).