N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide

C12H19N3O2 — CID 9352338

IUPACN-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCCCC1=NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O2/c1-8-4-2-3-5-10(8)14-15-12(17)11(16)13-9-6-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m1/s1
InChIKeyTXYZDQLYMWHSMP-MRVPVSSYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds2

About N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide

N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide (PubChem CID 9352338) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide
PubChem CID9352338
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCCCC1=NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O2/c1-8-4-2-3-5-10(8)14-15-12(17)11(16)13-9-6-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m1/s1
InChIKeyTXYZDQLYMWHSMP-MRVPVSSYSA-N
XLogP0.95
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
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'-[[(2R)-2-methylcyclohexylidene]amino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide (CID 9352338) is N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide is C[C@@H]1CCCCC1=NNC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide?
The InChIKey is TXYZDQLYMWHSMP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-2-3-5-10(8)14-15-12(17)11(16)13-9-6-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m1/s1.
What are the key properties of N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide?
N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide is sourced from PubChem (CID 9352338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).