N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide

C24H26F3NO4 — CID 118344221

IUPACN-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide
SMILESCC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1
InChIInChI=1S/C24H26F3NO4/c1-17(29)28-23(15-31-22(2,3)32-16-23)12-11-18-9-10-21(20(13-18)24(25,26)27)30-14-19-7-5-4-6-8-19/h4-13H,14-16H2,1-3H3,(H,28,29)/b12-11+
InChIKeyOUZRZQUHMJDPDY-VAWYXSNFSA-N
MW449.47 g/mol
LogP4.96
Rot. Bonds6

About N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide

N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide (PubChem CID 118344221) has the molecular formula C24H26F3NO4 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide
PubChem CID118344221
Molecular FormulaC24H26F3NO4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC NameN-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide
SMILESCC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1
InChIInChI=1S/C24H26F3NO4/c1-17(29)28-23(15-31-22(2,3)32-16-23)12-11-18-9-10-21(20(13-18)24(25,26)27)30-14-19-7-5-4-6-8-19/h4-13H,14-16H2,1-3H3,(H,28,29)/b12-11+
InChIKeyOUZRZQUHMJDPDY-VAWYXSNFSA-N
XLogP4.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide
CID 160612318
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
tert-butyl N-[2,2-dimethyl-5-[6-phenylmethoxy-5-(trifluoromethyl)naphthalen-2-yl]-1,3-dioxan-5-yl]carbamate
CID 70700539
methyl (E)-3-(3-iodo-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684493
tert-butyl (4S)-2,2-dimethyl-4-[[[4-phenylmethoxy-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 143621903
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170813594
benzyl 2-[4-amino-2-(trifluoromethyl)phenoxy]acetate
CID 154815329
benzyl N-[4-[4-amino-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494665
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide?
The IUPAC name of N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide (CID 118344221) is N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide.
What is the SMILES notation for N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide?
The canonical SMILES for N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide is CC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1.
What is the InChIKey of N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide?
The InChIKey is OUZRZQUHMJDPDY-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H26F3NO4/c1-17(29)28-23(15-31-22(2,3)32-16-23)12-11-18-9-10-21(20(13-18)24(25,26)27)30-14-19-7-5-4-6-8-19/h4-13H,14-16H2,1-3H3,(H,28,29)/b12-11+.
What are the key properties of N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide?
N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide has a molecular weight of 449.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide is sourced from PubChem (CID 118344221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).