2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H18F3N3O2 — CID 113468481

IUPAC2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-17-5-4-15(3-2-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16)
InChIKeyOUMCZEBKTGVJHB-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.43
Rot. Bonds8

About 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113468481) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113468481
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-17-5-4-15(3-2-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16)
InChIKeyOUMCZEBKTGVJHB-UHFFFAOYSA-N
XLogP-0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492715
2-[bis(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60686227
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824
N',N'-bis(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
CID 86811567
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787831
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 113468481) is 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is COCCN(CCN)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OUMCZEBKTGVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-17-5-4-15(3-2-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 257.26 g/mol, XLogP of -0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113468481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).