N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C11H18F3N3O2 — CID 76921694

IUPACN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C11H18F3N3O2/c1-2-17(7-11(12,13)14)9(18)10(8(15)16-19)5-3-4-6-10/h19H,2-7H2,1H3,(H2,15,16)
InChIKeyVYAHABJJWCYXNR-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.70
Rot. Bonds4

About N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 76921694) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID76921694
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C11H18F3N3O2/c1-2-17(7-11(12,13)14)9(18)10(8(15)16-19)5-3-4-6-10/h19H,2-7H2,1H3,(H2,15,16)
InChIKeyVYAHABJJWCYXNR-UHFFFAOYSA-N
XLogP1.70
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 76921694) is N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is VYAHABJJWCYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-2-17(7-11(12,13)14)9(18)10(8(15)16-19)5-3-4-6-10/h19H,2-7H2,1H3,(H2,15,16).
What are the key properties of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 76921694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).