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

C10H19F3N4O2 — CID 103370131

IUPACN-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-5(2)16-9(18)6(3)15-4-7(8(14)17-19)10(11,12)13/h5-7,15,19H,4H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeySHLMTZGJGKPGKZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.41
Rot. Bonds6

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

N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (PubChem CID 103370131) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
PubChem CID103370131
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c1-5(2)16-9(18)6(3)15-4-7(8(14)17-19)10(11,12)13/h5-7,15,19H,4H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeySHLMTZGJGKPGKZ-UHFFFAOYSA-N
XLogP0.41
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.41
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-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The IUPAC name of N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide (CID 103370131) is N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is CC(C)NC(=O)C(C)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
The InChIKey is SHLMTZGJGKPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-5(2)16-9(18)6(3)15-4-7(8(14)17-19)10(11,12)13/h5-7,15,19H,4H2,1-3H3,(H2,14,17)(H,16,18).
What are the key properties of N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide?
N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide is sourced from PubChem (CID 103370131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).