N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide

C28H32F6N4O5 — CID 142762376

IUPACN-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)(C)OC(C)(C)C(NC(=O)c1ccccc1C(F)(F)F)C(=O)NC
InChIInChI=1S/C28H32F6N4O5/c1-25(2,19(23(41)35-5)37-21(39)15-11-7-9-13-17(15)27(29,30)31)43-26(3,4)20(24(42)36-6)38-22(40)16-12-8-10-14-18(16)28(32,33)34/h7-14,19-20H,1-6H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)
InChIKeyQVLXERNNUHWBBY-UHFFFAOYSA-N
MW618.58 g/mol
LogP3.69
Rot. Bonds10

About N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide

N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 142762376) has the molecular formula C28H32F6N4O5 and a molecular weight of 618.58 g/mol. Its IUPAC name is N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID142762376
Molecular FormulaC28H32F6N4O5
Molecular Weight618.58 g/mol
Exact Mass618.23
IUPAC NameN-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)(C)OC(C)(C)C(NC(=O)c1ccccc1C(F)(F)F)C(=O)NC
InChIInChI=1S/C28H32F6N4O5/c1-25(2,19(23(41)35-5)37-21(39)15-11-7-9-13-17(15)27(29,30)31)43-26(3,4)20(24(42)36-6)38-22(40)16-12-8-10-14-18(16)28(32,33)34/h7-14,19-20H,1-6H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)
InChIKeyQVLXERNNUHWBBY-UHFFFAOYSA-N
XLogP3.69
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.58
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
2-(1,1-difluoroethyl)-N-methylbenzamide
CID 162577291
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide (CID 142762376) is N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide is CNC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)(C)OC(C)(C)C(NC(=O)c1ccccc1C(F)(F)F)C(=O)NC.
What is the InChIKey of N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is QVLXERNNUHWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F6N4O5/c1-25(2,19(23(41)35-5)37-21(39)15-11-7-9-13-17(15)27(29,30)31)43-26(3,4)20(24(42)36-6)38-22(40)16-12-8-10-14-18(16)28(32,33)34/h7-14,19-20H,1-6H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40).
What are the key properties of N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide?
N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 618.58 g/mol, XLogP of 3.69, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 142762376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).