N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2 — CID 78924319

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCCOCC1CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(17)16-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyFHUXKUNEQMTTHN-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds9

About N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924319) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924319
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCCOCC1CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(17)16-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyFHUXKUNEQMTTHN-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924319) is N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FHUXKUNEQMTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(17)16-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).