N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C10H17F3N2O2 — CID 60734457

IUPACN-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESC=CCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-3-4-15-9(16)8(2)14-5-6-17-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyBBUPMKHZGATXSG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.85
Rot. Bonds8

About N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 60734457) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID60734457
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESC=CCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-3-4-15-9(16)8(2)14-5-6-17-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyBBUPMKHZGATXSG-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 167229386
N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane
CID 177356846
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089172
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031816
N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031854
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55261840
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55261842
N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55262034
N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734500
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734502
N-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734535

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 60734457) is N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is C=CCNC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is BBUPMKHZGATXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-4-15-9(16)8(2)14-5-6-17-7-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16).
What are the key properties of N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 60734457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).