2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H20F3N3O2 — CID 63287127

IUPAC2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CCCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-18-6-5-16(4-2-3-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17)
InChIKeyMZAXOHRFLGFYBC-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.04
Rot. Bonds9

About 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63287127) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63287127
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CCCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-18-6-5-16(4-2-3-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17)
InChIKeyMZAXOHRFLGFYBC-UHFFFAOYSA-N
XLogP-0.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
N-[2-(dimethylamino)ethyl]-N'-(2-methoxyethyl)ethanediamide
CID 16468583
N1-(2-morpholinoethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585038
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
Ethyl 2-[bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]acetate
CID 59386384
N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
CID 87130166
2-(methylamino)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
CID 117801687
Ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940340
2-(ethylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;molecular hydrogen
CID 168940437
2-(propan-2-ylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948883

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63287127) is 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is COCCN(CCCN)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MZAXOHRFLGFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-18-6-5-16(4-2-3-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17).
What are the key properties of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63287127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).