N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H17F3N2O3 — CID 114212190

IUPACN-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-16-3-2-7(4-13)14-8(15)5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeySGKHQUIRCYMFBV-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.05
Rot. Bonds8

About N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 114212190) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID114212190
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC NameN-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-16-3-2-7(4-13)14-8(15)5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeySGKHQUIRCYMFBV-UHFFFAOYSA-N
XLogP0.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212563
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
(2S)-4-methoxy-4-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid
CID 103205985
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 114212190) is N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is COCCC(CN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SGKHQUIRCYMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-16-3-2-7(4-13)14-8(15)5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 258.24 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 114212190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).