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

C10H17F3N2O2 — CID 106401868

IUPAC2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCCOCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h2,14H,1,3-8H2,(H,15,16)
InChIKeyNZKPNPPWZXVARN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.85
Rot. Bonds9

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

2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106401868) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106401868
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCCOCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h2,14H,1,3-8H2,(H,15,16)
InChIKeyNZKPNPPWZXVARN-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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'}

Analyze 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 60734457
CID 60734457
CID 78977690
CID 78977690
CID 79280589
CID 79280589
CID 103080635
CID 103080635
CID 103852816
CID 103852816
CID 103855608
CID 103855608
CID 103855683
CID 103855683
CID 105910166
CID 105910166
CID 105910361
CID 105910361
CID 106398035
CID 106398035
CID 106409944
CID 106409944
CID 107168162
CID 107168162

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106401868) is 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide is C=CCCOCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NZKPNPPWZXVARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h2,14H,1,3-8H2,(H,15,16).
What are the key properties of 2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-but-3-enoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.85, 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)acetamide is sourced from PubChem (CID 106401868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).