2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide

C15H26F3N3O2 — CID 33362536

IUPAC2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-4-11(6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyXAIUMLSQLFHXDD-VXGBXAGGSA-N
MW337.39 g/mol
LogP1.67
Rot. Bonds7

About 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide

2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide (PubChem CID 33362536) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
PubChem CID33362536
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-4-11(6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyXAIUMLSQLFHXDD-VXGBXAGGSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The IUPAC name of 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide (CID 33362536) is 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide is CC(C)CN(CC(N)=O)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The InChIKey is XAIUMLSQLFHXDD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-4-11(6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23)/t11-,12-/m1/s1.
What are the key properties of 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide has a molecular weight of 337.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 33362536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).