N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O3 — CID 78931967

IUPACN-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCOCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-5-6-18-4-2-3-15-9(16)7-14-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyZRNSUHDWERRLCN-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.31
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78931967) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78931967
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCOCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-5-6-18-4-2-3-15-9(16)7-14-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyZRNSUHDWERRLCN-UHFFFAOYSA-N
XLogP0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.31
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-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
CID 83210570
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78931967) is N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is COCCOCCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZRNSUHDWERRLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-17-5-6-18-4-2-3-15-9(16)7-14-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 272.27 g/mol, XLogP of 0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78931967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).