2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O2 — CID 103852816

IUPAC2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCCOCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-3-4-6-18-7-5-15-9(2)10(17)16-8-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17)
InChIKeyBNTZMQZHBKXFMW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.24
Rot. Bonds9

About 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103852816) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103852816
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCCOCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-3-4-6-18-7-5-15-9(2)10(17)16-8-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17)
InChIKeyBNTZMQZHBKXFMW-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.24
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

d-Allylglycine, N-trifluoroacetyl-, butyl ester
CID 91724235
(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 167229386
N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734457
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734502
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 61490682
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 61490684
N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 63828059
N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 63828587
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-4-enamide
CID 81776903
2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide
CID 103080621
2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
CID 103080635
2-amino-N-[2-(2,2-difluoroethoxy)ethyl]pent-4-enamide
CID 105910166

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 103852816) is 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide is C=CCCOCCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BNTZMQZHBKXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-4-6-18-7-5-15-9(2)10(17)16-8-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17).
What are the key properties of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).