N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C12H23F3N2O2 — CID 103807721

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(2)10(16)4-6-17(3)11(18)5-7-19-8-12(13,14)15/h9-10H,4-8,16H2,1-3H3
InChIKeyZFMRVYQDYPFUGN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.79
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103807721) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103807721
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(2)10(16)4-6-17(3)11(18)5-7-19-8-12(13,14)15/h9-10H,4-8,16H2,1-3H3
InChIKeyZFMRVYQDYPFUGN-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103807721) is N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)C(N)CCN(C)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZFMRVYQDYPFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-9(2)10(16)4-6-17(3)11(18)5-7-19-8-12(13,14)15/h9-10H,4-8,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).