(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide

C21H24F3N5O5 — CID 41083178

IUPAC(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C[C@H](C(=O)N1CCOCC1)n1ccnc1
InChIInChI=1S/C21H24F3N5O5/c1-27(13-18(30)26-15-2-4-16(5-3-15)34-21(22,23)24)19(31)12-17(29-7-6-25-14-29)20(32)28-8-10-33-11-9-28/h2-7,14,17H,8-13H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyGWCNHWBSJDKTON-QGZVFWFLSA-N
MW483.45 g/mol
LogP1.67
Rot. Bonds8

About (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide

(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide (PubChem CID 41083178) has the molecular formula C21H24F3N5O5 and a molecular weight of 483.45 g/mol. Its IUPAC name is (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
PubChem CID41083178
Molecular FormulaC21H24F3N5O5
Molecular Weight483.45 g/mol
Exact Mass483.17
IUPAC Name(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C[C@H](C(=O)N1CCOCC1)n1ccnc1
InChIInChI=1S/C21H24F3N5O5/c1-27(13-18(30)26-15-2-4-16(5-3-15)34-21(22,23)24)19(31)12-17(29-7-6-25-14-29)20(32)28-8-10-33-11-9-28/h2-7,14,17H,8-13H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyGWCNHWBSJDKTON-QGZVFWFLSA-N
XLogP1.67
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328599
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-[methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8642528
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-3-ylacetamide
CID 9220607
3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
CID 9220530
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545266

Frequently Asked Questions

What is the IUPAC name of (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide?
The IUPAC name of (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide (CID 41083178) is (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide.
What is the SMILES notation for (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide?
The canonical SMILES for (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C[C@H](C(=O)N1CCOCC1)n1ccnc1.
What is the InChIKey of (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide?
The InChIKey is GWCNHWBSJDKTON-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24F3N5O5/c1-27(13-18(30)26-15-2-4-16(5-3-15)34-21(22,23)24)19(31)12-17(29-7-6-25-14-29)20(32)28-8-10-33-11-9-28/h2-7,14,17H,8-13H2,1H3,(H,26,30)/t17-/m1/s1.
What are the key properties of (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide?
(3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide has a molecular weight of 483.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-imidazol-1-yl-N-methyl-4-morpholin-4-yl-4-oxo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide is sourced from PubChem (CID 41083178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).