N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide

C14H23N3O2 — CID 9352111

IUPACN-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1C/C(=N\NC(=O)C(=O)NC2CC2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-9-6-11(8-14(2,3)7-9)16-17-13(19)12(18)15-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,18)(H,17,19)/b16-11+/t9-/m1/s1
InChIKeyMYKIDHFORKSMIN-SYHTZJABSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds2

About N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide

N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide (PubChem CID 9352111) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide
PubChem CID9352111
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1C/C(=N\NC(=O)C(=O)NC2CC2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-9-6-11(8-14(2,3)7-9)16-17-13(19)12(18)15-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,18)(H,17,19)/b16-11+/t9-/m1/s1
InChIKeyMYKIDHFORKSMIN-SYHTZJABSA-N
XLogP1.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
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-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide (CID 9352111) is N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide is C[C@@H]1C/C(=N\NC(=O)C(=O)NC2CC2)CC(C)(C)C1.
What is the InChIKey of N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide?
The InChIKey is MYKIDHFORKSMIN-SYHTZJABSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-6-11(8-14(2,3)7-9)16-17-13(19)12(18)15-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,18)(H,17,19)/b16-11+/t9-/m1/s1.
What are the key properties of N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide?
N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide is sourced from PubChem (CID 9352111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).