N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide

C10H19F3N4O2 — CID 103369866

IUPACN-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCCCNC(=O)C(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-3-4-15-9(18)6(2)16-5-7(8(14)17-19)10(11,12)13/h6-7,16,19H,3-5H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyHPZUTCZHVKJGFM-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.42
Rot. Bonds7

About N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide

N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (PubChem CID 103369866) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
PubChem CID103369866
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCCCNC(=O)C(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-3-4-15-9(18)6(2)16-5-7(8(14)17-19)10(11,12)13/h6-7,16,19H,3-5H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyHPZUTCZHVKJGFM-UHFFFAOYSA-N
XLogP0.42
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The IUPAC name of N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (CID 103369866) is N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.
What is the SMILES notation for N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The canonical SMILES for N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is CCCNC(=O)C(C)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The InChIKey is HPZUTCZHVKJGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-3-4-15-9(18)6(2)16-5-7(8(14)17-19)10(11,12)13/h6-7,16,19H,3-5H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is sourced from PubChem (CID 103369866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).