2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C21H32F3N3O2 — CID 55437577

IUPAC2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC(C)C
InChIInChI=1S/C21H32F3N3O2/c1-15(2)12-26(13-16(3)4)14-20(28)25-18-11-17(21(22,23)24)5-6-19(18)27-7-9-29-10-8-27/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,25,28)
InChIKeyBREVGSTZDONTMT-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.09
Rot. Bonds8

About 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 55437577) has the molecular formula C21H32F3N3O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID55437577
Molecular FormulaC21H32F3N3O2
Molecular Weight415.50 g/mol
Exact Mass415.24
IUPAC Name2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC(C)C
InChIInChI=1S/C21H32F3N3O2/c1-15(2)12-26(13-16(3)4)14-20(28)25-18-11-17(21(22,23)24)5-6-19(18)27-7-9-29-10-8-27/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,25,28)
InChIKeyBREVGSTZDONTMT-UHFFFAOYSA-N
XLogP4.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
3-[methyl-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 122073939

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 55437577) is 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is CC(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BREVGSTZDONTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3N3O2/c1-15(2)12-26(13-16(3)4)14-20(28)25-18-11-17(21(22,23)24)5-6-19(18)27-7-9-29-10-8-27/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,25,28).
What are the key properties of 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55437577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).