N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide

C15H23F6N3O2 — CID 16763916

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CNC(=O)NC(NC(=O)C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H23F6N3O2/c1-9(2)8-22-12(26)24-13(14(16,17)18,15(19,20)21)23-11(25)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyREBUCWISSWSYSE-UHFFFAOYSA-N
MW391.36 g/mol
LogP3.46
Rot. Bonds5

About N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide

N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 16763916) has the molecular formula C15H23F6N3O2 and a molecular weight of 391.36 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide
PubChem CID16763916
Molecular FormulaC15H23F6N3O2
Molecular Weight391.36 g/mol
Exact Mass391.17
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CNC(=O)NC(NC(=O)C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H23F6N3O2/c1-9(2)8-22-12(26)24-13(14(16,17)18,15(19,20)21)23-11(25)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyREBUCWISSWSYSE-UHFFFAOYSA-N
XLogP3.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide (CID 16763916) is N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide is CC(C)CNC(=O)NC(NC(=O)C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is REBUCWISSWSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F6N3O2/c1-9(2)8-22-12(26)24-13(14(16,17)18,15(19,20)21)23-11(25)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide?
N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 391.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylpropylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 16763916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).