N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C17H26F3NO2 — CID 169111537

IUPACN-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F
InChIInChI=1S/C17H26F3NO2/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20/h7-8,13H,4-6,9-12H2,1-3H3/t13-/m1/s1
InChIKeySHEZUZLTKLEARF-CYBMUJFWSA-N
MW333.39 g/mol
LogP4.11
Rot. Bonds8

About N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 169111537) has the molecular formula C17H26F3NO2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID169111537
Molecular FormulaC17H26F3NO2
Molecular Weight333.39 g/mol
Exact Mass333.19
IUPAC NameN-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F
InChIInChI=1S/C17H26F3NO2/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20/h7-8,13H,4-6,9-12H2,1-3H3/t13-/m1/s1
InChIKeySHEZUZLTKLEARF-CYBMUJFWSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide 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-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 169111537) is N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SHEZUZLTKLEARF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26F3NO2/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20/h7-8,13H,4-6,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 169111537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).