N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O2 — CID 54871773

IUPACN-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCNC
InChIInChI=1S/C12H23F3N2O2/c1-3-19-9-5-8-17(10-12(13,14)15)11(18)6-4-7-16-2/h16H,3-10H2,1-2H3
InChIKeyCEVOOHZEPKZCMW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds10

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

N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54871773) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54871773
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCNC
InChIInChI=1S/C12H23F3N2O2/c1-3-19-9-5-8-17(10-12(13,14)15)11(18)6-4-7-16-2/h16H,3-10H2,1-2H3
InChIKeyCEVOOHZEPKZCMW-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
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)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (CID 54871773) is N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)CCCNC.
What is the InChIKey of N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CEVOOHZEPKZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-3-19-9-5-8-17(10-12(13,14)15)11(18)6-4-7-16-2/h16H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).