N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3 — CID 15399365

IUPACN-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(OC)N(C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-8(16-4)14(3)9(15)7(2)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3
InChIKeyYUGLJHQKHDJUFC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.79
Rot. Bonds6

About N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide

N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 15399365) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID15399365
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(OC)N(C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-8(16-4)14(3)9(15)7(2)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3
InChIKeyYUGLJHQKHDJUFC-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide (CID 15399365) is N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide is CCC(OC)N(C)C(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YUGLJHQKHDJUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-5-8(16-4)14(3)9(15)7(2)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 15399365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).