2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

C12H21F4N3O2 — CID 106295276

IUPAC2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=NO
InChIInChI=1S/C12H21F4N3O2/c1-3-5-11(6-4-2,9(17)19-21)10(20)18-7-12(15,16)8(13)14/h8,21H,3-7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOIWARKJLCWDQIO-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.34
Rot. Bonds9

About 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (PubChem CID 106295276) has the molecular formula C12H21F4N3O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
PubChem CID106295276
Molecular FormulaC12H21F4N3O2
Molecular Weight315.31 g/mol
Exact Mass315.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=NO
InChIInChI=1S/C12H21F4N3O2/c1-3-5-11(6-4-2,9(17)19-21)10(20)18-7-12(15,16)8(13)14/h8,21H,3-7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOIWARKJLCWDQIO-UHFFFAOYSA-N
XLogP2.34
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (CID 106295276) is 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is CCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The InChIKey is OIWARKJLCWDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4N3O2/c1-3-5-11(6-4-2,9(17)19-21)10(20)18-7-12(15,16)8(13)14/h8,21H,3-7H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide has a molecular weight of 315.31 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is sourced from PubChem (CID 106295276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).