N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O3 — CID 103212985

IUPACN-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-7-5-15(4-3-14)9(16)2-6-18-8-10(11,12)13/h2-8,14H2,1H3
InChIKeyYGSXIKBJZLZCPX-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.39
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212985) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212985
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-7-5-15(4-3-14)9(16)2-6-18-8-10(11,12)13/h2-8,14H2,1H3
InChIKeyYGSXIKBJZLZCPX-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-methyl-3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 140306783
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]propanamide
CID 155741079
N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride
CID 156501444
2-[3-[Bis[2-(methylamino)ethyl]amino]-3-oxopropoxy]ethylcarbamoyl 2,2,2-trifluoroacetate
CID 170353809
2-[3-[Bis[2-(methylamino)ethyl]amino]-3-oxopropoxy]ethylcarbamic acid;2,2,2-trifluoroacetic acid
CID 170353810
3-[2-[2-[2-[2-[Methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 175253892
N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43253977
N-(3-aminopropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 43254434
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54871745
(2R)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54996239
N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031854
N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55259723

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212985) is N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is COCCN(CCN)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YGSXIKBJZLZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-17-7-5-15(4-3-14)9(16)2-6-18-8-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-aminoethyl)-N-(2-methoxyethyl)-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-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).