N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O3 — CID 114243684

IUPACN-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCOCCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-15(4-7-17-6-3-14)9(16)2-5-18-8-10(11,12)13/h2-8,14H2,1H3
InChIKeyCUUCVSNKCWXEON-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.39
Rot. Bonds9

About N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 114243684) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID114243684
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCOCCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-15(4-7-17-6-3-14)9(16)2-5-18-8-10(11,12)13/h2-8,14H2,1H3
InChIKeyCUUCVSNKCWXEON-UHFFFAOYSA-N
XLogP0.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
CID 81073715
N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212210
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005406
N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205532

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 114243684) is N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(CCOCCN)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CUUCVSNKCWXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-15(4-7-17-6-3-14)9(16)2-5-18-8-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 272.27 g/mol, XLogP of 0.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 114243684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).