2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide

C15H26F3N3O2 — CID 33362611

IUPAC2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-11(4-6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMRYUOLJLRLQAEE-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.67
Rot. Bonds7

About 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide

2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide (PubChem CID 33362611) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
PubChem CID33362611
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-11(4-6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMRYUOLJLRLQAEE-UHFFFAOYSA-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-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The IUPAC name of 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide (CID 33362611) is 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide is CC(C)CN(CC(N)=O)CC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
The InChIKey is MRYUOLJLRLQAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-10(2)7-21(8-13(19)22)9-14(23)20-12-5-3-11(4-6-12)15(16,17)18/h10-12H,3-9H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-[2-methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide?
2-[2-methylpropyl-[2-oxo-2-[[4-(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-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 33362611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).