2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide

C12H22F3N3O2 — CID 120799652

IUPAC2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide
SMILESCN(CCNC(=O)C(N)C1CCOCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)5-4-17-11(19)10(16)9-2-6-20-7-3-9/h9-10H,2-8,16H2,1H3,(H,17,19)
InChIKeyATKUSNGMIBXVGC-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.35
Rot. Bonds6

About 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799652) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120799652
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide
SMILESCN(CCNC(=O)C(N)C1CCOCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)5-4-17-11(19)10(16)9-2-6-20-7-3-9/h9-10H,2-8,16H2,1H3,(H,17,19)
InChIKeyATKUSNGMIBXVGC-UHFFFAOYSA-N
XLogP0.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60947768
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CID 61162805
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CID 61173930
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CID 62385625
CID 62385625
CID 64881308
CID 64881308
CID 64881620
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CID 65538370
CID 65538370
CID 71983917
CID 71983917

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide (CID 120799652) is 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide is CN(CCNC(=O)C(N)C1CCOCC1)CC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is ATKUSNGMIBXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)5-4-17-11(19)10(16)9-2-6-20-7-3-9/h9-10H,2-8,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).