N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

C10H19F3N2O2 — CID 66275856

IUPACN-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCC(OCCC(=O)N(C)CCCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(10(11,12)13)17-7-4-9(16)15(2)6-3-5-14/h8H,3-7,14H2,1-2H3
InChIKeyFCIXZJDQLPXKEQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds7

About N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (PubChem CID 66275856) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
PubChem CID66275856
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCC(OCCC(=O)N(C)CCCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(10(11,12)13)17-7-4-9(16)15(2)6-3-5-14/h8H,3-7,14H2,1-2H3
InChIKeyFCIXZJDQLPXKEQ-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (CID 66275856) is N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is CC(OCCC(=O)N(C)CCCN)C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The InChIKey is FCIXZJDQLPXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(10(11,12)13)17-7-4-9(16)15(2)6-3-5-14/h8H,3-7,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is sourced from PubChem (CID 66275856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).