2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide

C10H17F3N2O2 — CID 106398035

IUPAC2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-3-4-6-17-7-5-15-8(16)9(2,14)10(11,12)13/h3H,1,4-7,14H2,2H3,(H,15,16)
InChIKeyYMHUPELAHKJLRQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.98
Rot. Bonds7

About 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 106398035) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID106398035
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-3-4-6-17-7-5-15-8(16)9(2,14)10(11,12)13/h3H,1,4-7,14H2,2H3,(H,15,16)
InChIKeyYMHUPELAHKJLRQ-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.98
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

N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
2-(2-but-3-enoxyethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106405118
2-but-3-enoxyethylurea
CID 103852774
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
2-(2-but-3-enoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 106405065
N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 106398324
methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide (CID 106398035) is 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide is C=CCCOCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is YMHUPELAHKJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-4-6-17-7-5-15-8(16)9(2,14)10(11,12)13/h3H,1,4-7,14H2,2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 254.25 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 106398035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).