N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide

C10H19F3N4O2 — CID 103370076

IUPACN-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-9(2,3)16-7(18)5-15-4-6(8(14)17-19)10(11,12)13/h6,15,19H,4-5H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyKNHWDDFBGMUVPF-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.42
Rot. Bonds5

About N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide

N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide (PubChem CID 103370076) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
PubChem CID103370076
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-9(2,3)16-7(18)5-15-4-6(8(14)17-19)10(11,12)13/h6,15,19H,4-5H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyKNHWDDFBGMUVPF-UHFFFAOYSA-N
XLogP0.42
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.42
H-Bond Donors ≤ 54
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-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide (CID 103370076) is N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide is CC(C)(C)NC(=O)CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The InChIKey is KNHWDDFBGMUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-9(2,3)16-7(18)5-15-4-6(8(14)17-19)10(11,12)13/h6,15,19H,4-5H2,1-3H3,(H2,14,17)(H,16,18).
What are the key properties of N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide has a molecular weight of 284.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide is sourced from PubChem (CID 103370076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).