2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride

C10H18ClF3N2O3 — CID 120789401

IUPAC2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H17F3N2O3.ClH/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6;/h6-8,16H,1-5,14H2,(H,15,17);1H
InChIKeyAZZKJDKNACZVQV-UHFFFAOYSA-N
MW306.71 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride (PubChem CID 120789401) has the molecular formula C10H18ClF3N2O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
PubChem CID120789401
Molecular FormulaC10H18ClF3N2O3
Molecular Weight306.71 g/mol
Exact Mass306.10
IUPAC Name2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H17F3N2O3.ClH/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6;/h6-8,16H,1-5,14H2,(H,15,17);1H
InChIKeyAZZKJDKNACZVQV-UHFFFAOYSA-N
XLogP0.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 120795451
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride (CID 120789401) is 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride is Cl.NC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride?
The InChIKey is AZZKJDKNACZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3.ClH/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6;/h6-8,16H,1-5,14H2,(H,15,17);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride has a molecular weight of 306.71 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride is sourced from PubChem (CID 120789401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).