2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide

C35H32F3NO2 — CID 15486208

IUPAC2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide
SMILESC=CCC(c1ccccc1)N(C(=O)C(F)(F)F)C(C=C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32F3NO2/c1-3-17-32(27-18-9-5-10-19-27)39(33(40)35(36,37)38)31(4-2)26-41-34(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-16,18-25,31-32H,1-2,17,26H2
InChIKeyZNIQBZRWGVVFJT-UHFFFAOYSA-N
MW555.64 g/mol
LogP8.26
Rot. Bonds12

About 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide

2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide (PubChem CID 15486208) has the molecular formula C35H32F3NO2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide
PubChem CID15486208
Molecular FormulaC35H32F3NO2
Molecular Weight555.64 g/mol
Exact Mass555.24
IUPAC Name2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide
SMILESC=CCC(c1ccccc1)N(C(=O)C(F)(F)F)C(C=C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H32F3NO2/c1-3-17-32(27-18-9-5-10-19-27)39(33(40)35(36,37)38)31(4-2)26-41-34(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-16,18-25,31-32H,1-2,17,26H2
InChIKeyZNIQBZRWGVVFJT-UHFFFAOYSA-N
XLogP8.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N-methylacetamide
CID 44346438
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
(2R,5S)-4-benzyl-5-(iodomethyl)-2-phenyl-2-(trifluoromethyl)morpholine
CID 44227624
(2R)-N-benzhydryl-N-benzyl-3-fluoro-2-methyl-2-phenylmethoxypropan-1-amine
CID 155930480
(2S)-N-benzhydryl-N-benzyl-3-fluoro-2-phenylmethoxypropan-1-amine
CID 176439000
1-Benzhydryl-1-benzyl-3-methyl-3-phenylmethoxyazetidin-1-ium;trifluoromethanesulfonate
CID 176439006
N-[(1R)-1-phenylethyl]-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15349921
1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylmethoxyethanone
CID 42691587
2-(Benzyloxy)-1-{4-[bis(4-fluorophenyl)methyl]piperazino}-1-ethanone
CID 46100484
1-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylmethoxyethanone
CID 132457844
2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide
CID 10669754
1-Benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
CID 4742672

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide (CID 15486208) is 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide is C=CCC(c1ccccc1)N(C(=O)C(F)(F)F)C(C=C)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide?
The InChIKey is ZNIQBZRWGVVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F3NO2/c1-3-17-32(27-18-9-5-10-19-27)39(33(40)35(36,37)38)31(4-2)26-41-34(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-16,18-25,31-32H,1-2,17,26H2.
What are the key properties of 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide?
2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide has a molecular weight of 555.64 g/mol, XLogP of 8.26, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide is sourced from PubChem (CID 15486208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).