N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H18F3N3O3 — CID 103211519

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(=NO)C1(NC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-8(18)16-10(9(15)17-19)4-2-1-3-5-10/h19H,1-7H2,(H2,15,17)(H,16,18)
InChIKeyUYYJSQYWAJRKHW-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211519) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211519
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(=NO)C1(NC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-8(18)16-10(9(15)17-19)4-2-1-3-5-10/h19H,1-7H2,(H2,15,17)(H,16,18)
InChIKeyUYYJSQYWAJRKHW-UHFFFAOYSA-N
XLogP1.13
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
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': 'oxime_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-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211519) is N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is NC(=NO)C1(NC(=O)COCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is UYYJSQYWAJRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-8(18)16-10(9(15)17-19)4-2-1-3-5-10/h19H,1-7H2,(H2,15,17)(H,16,18).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).