2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H33N3O3 — CID 99796786

IUPAC2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1/C(N)=N\OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H33N3O3/c1-19(2,3)17-15(10-12-24-17)18(20)22-25-13-16(23)21-11-9-14-7-5-4-6-8-14/h7,15,17H,4-6,8-13H2,1-3H3,(H2,20,22)(H,21,23)/t15-,17-/m0/s1
InChIKeyCPLHYNOEYBERMG-RDJZCZTQSA-N
MW351.49 g/mol
LogP2.73
Rot. Bonds7

About 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 99796786) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID99796786
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1/C(N)=N\OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H33N3O3/c1-19(2,3)17-15(10-12-24-17)18(20)22-25-13-16(23)21-11-9-14-7-5-4-6-8-14/h7,15,17H,4-6,8-13H2,1-3H3,(H2,20,22)(H,21,23)/t15-,17-/m0/s1
InChIKeyCPLHYNOEYBERMG-RDJZCZTQSA-N
XLogP2.73
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 75136125
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] oxane-4-carboxylate
CID 55374912
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7406211
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175130
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55313986
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
trans-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019494
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 99796786) is 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(C)(C)[C@H]1OCC[C@@H]1/C(N)=N\OCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CPLHYNOEYBERMG-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-19(2,3)17-15(10-12-24-17)18(20)22-25-13-16(23)21-11-9-14-7-5-4-6-8-14/h7,15,17H,4-6,8-13H2,1-3H3,(H2,20,22)(H,21,23)/t15-,17-/m0/s1.
What are the key properties of 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 99796786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).