N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide

C12H21N3O2 — CID 9351584

IUPACN'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C1/CCCC[C@@H]1C
InChIInChI=1S/C12H21N3O2/c1-8(2)13-11(16)12(17)15-14-10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,15,17)/b14-10-/t9-/m0/s1
InChIKeyKJIBPUWOQKQVNH-DCMHDJSWSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds2

About N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide

N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide (PubChem CID 9351584) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
PubChem CID9351584
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C1/CCCC[C@@H]1C
InChIInChI=1S/C12H21N3O2/c1-8(2)13-11(16)12(17)15-14-10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,15,17)/b14-10-/t9-/m0/s1
InChIKeyKJIBPUWOQKQVNH-DCMHDJSWSA-N
XLogP1.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
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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Related Compounds

[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
1-methyl-3-[(Z)-(2-methylcyclohexylidene)amino]thiourea
CID 6380013
1-methyl-3-[(E)-(2-methylcyclohexylidene)amino]thiourea
CID 6024955
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
2,4-dihydroxy-N-[(Z)-(2-methylcyclohexylidene)amino]benzamide
CID 19916735
(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 51552369
1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea
CID 129360267
2-methyl-N-propan-2-ylcyclohexan-1-imine
CID 11263611
(2S)-2-(4-ethoxyanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 26869544
1-[(E)-(2-methylcyclohexylidene)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 74766382

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide (CID 9351584) is N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C1/CCCC[C@@H]1C.
What is the InChIKey of N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide?
The InChIKey is KJIBPUWOQKQVNH-DCMHDJSWSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)13-11(16)12(17)15-14-10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,15,17)/b14-10-/t9-/m0/s1.
What are the key properties of N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide?
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide has a molecular weight of 239.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).