2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide

C15H25F3N2O2 — CID 166554445

IUPAC2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCNC(=O)C(CCCC1CCC(C(F)(F)F)CC1)NC(C)=O
InChIInChI=1S/C15H25F3N2O2/c1-10(21)20-13(14(22)19-2)5-3-4-11-6-8-12(9-7-11)15(16,17)18/h11-13H,3-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySQRKLTGBMKFBFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds6

About 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide

2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 166554445) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID166554445
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCNC(=O)C(CCCC1CCC(C(F)(F)F)CC1)NC(C)=O
InChIInChI=1S/C15H25F3N2O2/c1-10(21)20-13(14(22)19-2)5-3-4-11-6-8-12(9-7-11)15(16,17)18/h11-13H,3-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySQRKLTGBMKFBFW-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 166554445) is 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide is CNC(=O)C(CCCC1CCC(C(F)(F)F)CC1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is SQRKLTGBMKFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-10(21)20-13(14(22)19-2)5-3-4-11-6-8-12(9-7-11)15(16,17)18/h11-13H,3-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 322.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 166554445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).