2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

C11H20F3N3O3 — CID 60946902

IUPAC2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(8-11(12,13)14)10(19)7-16-9(18)6-15/h2-8,15H2,1H3,(H,16,18)
InChIKeyMMZUXNBFTJTQAY-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.12
Rot. Bonds9

About 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (PubChem CID 60946902) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
PubChem CID60946902
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(8-11(12,13)14)10(19)7-16-9(18)6-15/h2-8,15H2,1H3,(H,16,18)
InChIKeyMMZUXNBFTJTQAY-UHFFFAOYSA-N
XLogP-0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis-(3-ethoxy-propyl)-oxalamide
CID 3127284
N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
CID 21029229
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;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 144840601
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372041
N-propan-2-yl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372044
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372181
N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372182
N-propan-2-yl-2-[(3S)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372184
N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170529661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (CID 60946902) is 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is CCOCCCN(CC(F)(F)F)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is MMZUXNBFTJTQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(8-11(12,13)14)10(19)7-16-9(18)6-15/h2-8,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 299.29 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60946902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).