N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C12H22F3NO3 — CID 103028906

IUPACN-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C12H22F3NO3/c1-5-19-8-6-7-16(9-12(13,14)15)10(17)11(2,3)18-4/h5-9H2,1-4H3
InChIKeyXVQAGRHQUBVWEU-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.23
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103028906) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103028906
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C12H22F3NO3/c1-5-19-8-6-7-16(9-12(13,14)15)10(17)11(2,3)18-4/h5-9H2,1-4H3
InChIKeyXVQAGRHQUBVWEU-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
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-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 103028906) is N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCOCCCN(CC(F)(F)F)C(=O)C(C)(C)OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XVQAGRHQUBVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-5-19-8-6-7-16(9-12(13,14)15)10(17)11(2,3)18-4/h5-9H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103028906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).