N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide

C11H21F3N2O — CID 63226920

IUPACN-pentyl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-4-5-7-16-10(17)9(2)15-8-6-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyDGRHOOPNCCCBIT-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.22
Rot. Bonds8

About N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide

N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 63226920) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(3,3,3-trifluoropropylamino)propanamide
PubChem CID63226920
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-pentyl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-4-5-7-16-10(17)9(2)15-8-6-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyDGRHOOPNCCCBIT-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide (CID 63226920) is N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide is CCCCCNC(=O)C(C)NCCC(F)(F)F.
What is the InChIKey of N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is DGRHOOPNCCCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-4-5-7-16-10(17)9(2)15-8-6-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide?
N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 63226920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).