N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide

C16H21NO3 — CID 143243546

IUPACN-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide
SMILESCC(=O)N/C(=C\C1OCC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(18)17-14(13-7-5-4-6-8-13)9-15-19-10-16(2,3)11-20-15/h4-9,15H,10-11H2,1-3H3,(H,17,18)/b14-9-
InChIKeyYTTUTERENXCECA-ZROIWOOFSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds3

About N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide

N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide (PubChem CID 143243546) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide
PubChem CID143243546
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide
SMILESCC(=O)N/C(=C\C1OCC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(18)17-14(13-7-5-4-6-8-13)9-15-19-10-16(2,3)11-20-15/h4-9,15H,10-11H2,1-3H3,(H,17,18)/b14-9-
InChIKeyYTTUTERENXCECA-ZROIWOOFSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578
[(3-acetamido-3-phenylprop-2-enoyl)amino] acetate
CID 57239356
1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
CID 11393425
[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-phenylmethanone
CID 135072391
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzoic acid
CID 10779992
N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
CID 10991985
[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
CID 13104094
2-acetamido-3,3-diphenylprop-2-enoic acid
CID 134870656

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide?
The IUPAC name of N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide (CID 143243546) is N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide.
What is the SMILES notation for N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide?
The canonical SMILES for N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide is CC(=O)N/C(=C\C1OCC(C)(C)CO1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide?
The InChIKey is YTTUTERENXCECA-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)17-14(13-7-5-4-6-8-13)9-15-19-10-16(2,3)11-20-15/h4-9,15H,10-11H2,1-3H3,(H,17,18)/b14-9-.
What are the key properties of N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide?
N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide is sourced from PubChem (CID 143243546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).