2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide

C13H25F3N2O2 — CID 66275068

IUPAC2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
SMILESCCCNC(C)(CCCCOC(C)C(F)(F)F)C(N)=O
InChIInChI=1S/C13H25F3N2O2/c1-4-8-18-12(3,11(17)19)7-5-6-9-20-10(2)13(14,15)16/h10,18H,4-9H2,1-3H3,(H2,17,19)
InChIKeyRHGOYFOTEXLRSM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.37
Rot. Bonds10

About 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide

2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide (PubChem CID 66275068) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
PubChem CID66275068
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
SMILESCCCNC(C)(CCCCOC(C)C(F)(F)F)C(N)=O
InChIInChI=1S/C13H25F3N2O2/c1-4-8-18-12(3,11(17)19)7-5-6-9-20-10(2)13(14,15)16/h10,18H,4-9H2,1-3H3,(H2,17,19)
InChIKeyRHGOYFOTEXLRSM-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.37
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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Related Compounds

2-methyl-4-pentan-2-yloxy-2-(propylamino)butanamide
CID 102984400
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
2-methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275717
2-methyl-6-(methylamino)-2-(propylamino)heptanediamide
CID 66221079
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
CID 81265267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide?
The IUPAC name of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide (CID 66275068) is 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide is CCCNC(C)(CCCCOC(C)C(F)(F)F)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide?
The InChIKey is RHGOYFOTEXLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-4-8-18-12(3,11(17)19)7-5-6-9-20-10(2)13(14,15)16/h10,18H,4-9H2,1-3H3,(H2,17,19).
What are the key properties of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide?
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide has a molecular weight of 298.35 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide is sourced from PubChem (CID 66275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).