N-tert-butyl-N'-(cyclohexylideneamino)oxamide

C12H21N3O2 — CID 2844417

IUPACN-tert-butyl-N'-(cyclohexylideneamino)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NN=C1CCCCC1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-10(16)11(17)15-14-9-7-5-4-6-8-9/h4-8H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyIGYNEZDXNNZQHC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.34
Rot. Bonds1

About N-tert-butyl-N'-(cyclohexylideneamino)oxamide

N-tert-butyl-N'-(cyclohexylideneamino)oxamide (PubChem CID 2844417) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclohexylideneamino)oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclohexylideneamino)oxamide
PubChem CID2844417
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-tert-butyl-N'-(cyclohexylideneamino)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NN=C1CCCCC1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-10(16)11(17)15-14-9-7-5-4-6-8-9/h4-8H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyIGYNEZDXNNZQHC-UHFFFAOYSA-N
XLogP1.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tert-butyl-N'-(cyclohexylideneamino)oxamide?
The IUPAC name of N-tert-butyl-N'-(cyclohexylideneamino)oxamide (CID 2844417) is N-tert-butyl-N'-(cyclohexylideneamino)oxamide.
What is the SMILES notation for N-tert-butyl-N'-(cyclohexylideneamino)oxamide?
The canonical SMILES for N-tert-butyl-N'-(cyclohexylideneamino)oxamide is CC(C)(C)NC(=O)C(=O)NN=C1CCCCC1.
What is the InChIKey of N-tert-butyl-N'-(cyclohexylideneamino)oxamide?
The InChIKey is IGYNEZDXNNZQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)13-10(16)11(17)15-14-9-7-5-4-6-8-9/h4-8H2,1-3H3,(H,13,16)(H,15,17).
What are the key properties of N-tert-butyl-N'-(cyclohexylideneamino)oxamide?
N-tert-butyl-N'-(cyclohexylideneamino)oxamide has a molecular weight of 239.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclohexylideneamino)oxamide is sourced from PubChem (CID 2844417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).