N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide

C15H25F3N2O — CID 86793835

IUPACN-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-10(21)19-12-6-8-14(9-7-12)20-13-4-2-11(3-5-13)15(16,17)18/h11-14,20H,2-9H2,1H3,(H,19,21)
InChIKeyTWOGGQCOAPOWQH-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.14
Rot. Bonds3

About N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide

N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide (PubChem CID 86793835) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
PubChem CID86793835
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-10(21)19-12-6-8-14(9-7-12)20-13-4-2-11(3-5-13)15(16,17)18/h11-14,20H,2-9H2,1H3,(H,19,21)
InChIKeyTWOGGQCOAPOWQH-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide (CID 86793835) is N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide?
The InChIKey is TWOGGQCOAPOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10(21)19-12-6-8-14(9-7-12)20-13-4-2-11(3-5-13)15(16,17)18/h11-14,20H,2-9H2,1H3,(H,19,21).
What are the key properties of N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide?
N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 86793835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).