2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide

C19H29N3O3 — CID 60523504

IUPAC2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO/N=C(/N)COc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-15(2)22(16-9-5-3-6-10-16)19(23)14-25-21-18(20)13-24-17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H2,20,21)
InChIKeyJABMOXDWBMFALX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.92
Rot. Bonds8

About 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide

2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 60523504) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID60523504
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO/N=C(/N)COc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-15(2)22(16-9-5-3-6-10-16)19(23)14-25-21-18(20)13-24-17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H2,20,21)
InChIKeyJABMOXDWBMFALX-UHFFFAOYSA-N
XLogP2.92
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide (CID 60523504) is 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CO/N=C(/N)COc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is JABMOXDWBMFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)22(16-9-5-3-6-10-16)19(23)14-25-21-18(20)13-24-17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H2,20,21).
What are the key properties of 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide?
2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 347.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60523504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).