N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C25H30F3N3O3 — CID 143232391

IUPACN-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC/C=C(\NC)c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H30F3N3O3/c1-3-22(29-2)21-17-20(8-9-23(21)34-15-12-31-10-13-33-14-11-31)30-24(32)16-18-4-6-19(7-5-18)25(26,27)28/h3-9,17,29H,10-16H2,1-2H3,(H,30,32)/b22-3-
InChIKeyILCMOSNUQMOLMJ-XQFZAKLLSA-N
MW477.53 g/mol
LogP4.18
Rot. Bonds9

About N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 143232391) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID143232391
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC NameN-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC/C=C(\NC)c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H30F3N3O3/c1-3-22(29-2)21-17-20(8-9-23(21)34-15-12-31-10-13-33-14-11-31)30-24(32)16-18-4-6-19(7-5-18)25(26,27)28/h3-9,17,29H,10-16H2,1-2H3,(H,30,32)/b22-3-
InChIKeyILCMOSNUQMOLMJ-XQFZAKLLSA-N
XLogP4.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 68887718
1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25015205
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 162010183
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 24816267
2-(2,4-difluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 66927857
N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 10390905
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 66928588
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 143232391) is N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is C/C=C(\NC)c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ILCMOSNUQMOLMJ-XQFZAKLLSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-3-22(29-2)21-17-20(8-9-23(21)34-15-12-31-10-13-33-14-11-31)30-24(32)16-18-4-6-19(7-5-18)25(26,27)28/h3-9,17,29H,10-16H2,1-2H3,(H,30,32)/b22-3-.
What are the key properties of N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 477.53 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-1-(methylamino)prop-1-enyl]-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143232391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).