N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O3 — CID 113344912

IUPACN-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCNCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-7-5-14-3-4-15-9(16)2-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyIMQWLBBANCXPBU-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.31
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 113344912) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID113344912
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCNCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-7-5-14-3-4-15-9(16)2-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyIMQWLBBANCXPBU-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

2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
N-(4-iodobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106846214
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
3-(dimethylamino)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 83039390
4,4-dimethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 65284068
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 113344912) is N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is COCCNCCNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IMQWLBBANCXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-17-7-5-14-3-4-15-9(16)2-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide 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-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 113344912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).