4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O3 — CID 103155157

IUPAC4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C12H23F3N2O3/c1-3-20-6-4-5-17(9-12(13,14)15)11(18)7-10(8-16)19-2/h10H,3-9,16H2,1-2H3
InChIKeyKOVFBDIUAQADEX-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.17
Rot. Bonds10

About 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155157) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155157
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C12H23F3N2O3/c1-3-20-6-4-5-17(9-12(13,14)15)11(18)7-10(8-16)19-2/h10H,3-9,16H2,1-2H3
InChIKeyKOVFBDIUAQADEX-UHFFFAOYSA-N
XLogP1.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155157) is 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is KOVFBDIUAQADEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O3/c1-3-20-6-4-5-17(9-12(13,14)15)11(18)7-10(8-16)19-2/h10H,3-9,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 300.32 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).