N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide

C10H18F3N3O2 — CID 76923608

IUPACN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C(=O)N(CC)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H18F3N3O2/c1-3-5-7(8(14)15-18)9(17)16(4-2)6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeySIDWAQKWIAXEPI-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.56
Rot. Bonds6

About N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide

N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 76923608) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID76923608
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C(=O)N(CC)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H18F3N3O2/c1-3-5-7(8(14)15-18)9(17)16(4-2)6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeySIDWAQKWIAXEPI-UHFFFAOYSA-N
XLogP1.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.56
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-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide 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-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 76923608) is N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(C(=O)N(CC)CC(F)(F)F)C(N)=NO.
What is the InChIKey of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is SIDWAQKWIAXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-3-5-7(8(14)15-18)9(17)16(4-2)6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide?
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 269.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 76923608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).