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

C12H23F3N2O2 — CID 103155171

IUPAC4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)6-10(7-16)19-3/h9-10H,4-8,16H2,1-3H3
InChIKeyHLCYRJKYFMNRSM-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds8

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

4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155171) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155171
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)6-10(7-16)19-3/h9-10H,4-8,16H2,1-3H3
InChIKeyHLCYRJKYFMNRSM-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 103155171) is 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)N(CC(F)(F)F)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is HLCYRJKYFMNRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)6-10(7-16)19-3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).