N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide

C22H38F8N2O3 — CID 157036929

IUPACN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)(CCOC(C)(C)CCN)NC(=O)C(C(F)(F)F)C(C)(C)OCC(F)(C(C)(C)F)C(F)(F)F
InChIInChI=1S/C22H38F8N2O3/c1-16(2,10-12-34-17(3,4)9-11-31)32-15(33)14(21(25,26)27)18(5,6)35-13-20(24,19(7,8)23)22(28,29)30/h14H,9-13,31H2,1-8H3,(H,32,33)
InChIKeyJJNGTCABGUQQKP-UHFFFAOYSA-N
MW530.54 g/mol
LogP5.41
Rot. Bonds13

About N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide (PubChem CID 157036929) has the molecular formula C22H38F8N2O3 and a molecular weight of 530.54 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide
PubChem CID157036929
Molecular FormulaC22H38F8N2O3
Molecular Weight530.54 g/mol
Exact Mass530.28
IUPAC NameN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)(CCOC(C)(C)CCN)NC(=O)C(C(F)(F)F)C(C)(C)OCC(F)(C(C)(C)F)C(F)(F)F
InChIInChI=1S/C22H38F8N2O3/c1-16(2,10-12-34-17(3,4)9-11-31)32-15(33)14(21(25,26)27)18(5,6)35-13-20(24,19(7,8)23)22(28,29)30/h14H,9-13,31H2,1-8H3,(H,32,33)
InChIKeyJJNGTCABGUQQKP-UHFFFAOYSA-N
XLogP5.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
CID 129288682
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
CID 144955514
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide?
The IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide (CID 157036929) is N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide is CC(C)(CCOC(C)(C)CCN)NC(=O)C(C(F)(F)F)C(C)(C)OCC(F)(C(C)(C)F)C(F)(F)F.
What is the InChIKey of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide?
The InChIKey is JJNGTCABGUQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F8N2O3/c1-16(2,10-12-34-17(3,4)9-11-31)32-15(33)14(21(25,26)27)18(5,6)35-13-20(24,19(7,8)23)22(28,29)30/h14H,9-13,31H2,1-8H3,(H,32,33).
What are the key properties of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide?
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide has a molecular weight of 530.54 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-[2,3-difluoro-3-methyl-2-(trifluoromethyl)butoxy]-3-methyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 157036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).