2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C12H23F3N2O — CID 54871229

IUPAC2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CC(C)C
InChIInChI=1S/C12H23F3N2O/c1-4-5-6-17(8-12(13,14)15)11(18)10(16)7-9(2)3/h9-10H,4-8,16H2,1-3H3
InChIKeyPNTGUUQMMAOEBC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.55
Rot. Bonds7

About 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54871229) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54871229
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CC(C)C
InChIInChI=1S/C12H23F3N2O/c1-4-5-6-17(8-12(13,14)15)11(18)10(16)7-9(2)3/h9-10H,4-8,16H2,1-3H3
InChIKeyPNTGUUQMMAOEBC-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 54871229) is 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CCCCN(CC(F)(F)F)C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is PNTGUUQMMAOEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-5-6-17(8-12(13,14)15)11(18)10(16)7-9(2)3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 268.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54871229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).