4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide

C20H25F3N4O3 — CID 55515605

IUPAC4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C20H25F3N4O3/c1-25-8-7-24-18(25)19(29,20(21,22)23)13-17(28)26(2)14-15-5-3-4-6-16(15)27-9-11-30-12-10-27/h3-8,29H,9-14H2,1-2H3
InChIKeyLFPHLFMEKQDEOO-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.06
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide

4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 55515605) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID55515605
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C20H25F3N4O3/c1-25-8-7-24-18(25)19(29,20(21,22)23)13-17(28)26(2)14-15-5-3-4-6-16(15)27-9-11-30-12-10-27/h3-8,29H,9-14H2,1-2H3
InChIKeyLFPHLFMEKQDEOO-UHFFFAOYSA-N
XLogP2.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)butanamide
CID 55868014
4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55521865
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
4,4,4-trifluoro-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-methylimidazol-2-yl)butan-1-one
CID 55515908
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 29481269
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
CID 55636094
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31645961
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 136533224

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide (CID 55515605) is 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide is CN(Cc1ccccc1N1CCOCC1)C(=O)CC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is LFPHLFMEKQDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-25-8-7-24-18(25)19(29,20(21,22)23)13-17(28)26(2)14-15-5-3-4-6-16(15)27-9-11-30-12-10-27/h3-8,29H,9-14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 426.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 55515605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).