2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C16H22N2O2 — CID 7644084

IUPAC2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C\c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-13-7-5-6-10-15(13)18-16(19)12-20-17-11-14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,18,19)/b17-11-/t13-,15+/m1/s1
InChIKeyXXLALIPKDUTLRM-OXOWVQSXSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7644084) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID7644084
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C\c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-13-7-5-6-10-15(13)18-16(19)12-20-17-11-14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,18,19)/b17-11-/t13-,15+/m1/s1
InChIKeyXXLALIPKDUTLRM-OXOWVQSXSA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 3896243
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7700136
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9372400
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849280
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 4535395
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284737
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
CID 7478838

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 7644084) is 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C\c1ccccc1.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is XXLALIPKDUTLRM-OXOWVQSXSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-7-5-6-10-15(13)18-16(19)12-20-17-11-14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,18,19)/b17-11-/t13-,15+/m1/s1.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7644084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).