N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide

C19H19NO3 — CID 11312900

IUPACN-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
SMILESO=C(NC1COC(/C=C/c2ccccc2)OC1)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-19(16-9-5-2-6-10-16)20-17-13-22-18(23-14-17)12-11-15-7-3-1-4-8-15/h1-12,17-18H,13-14H2,(H,20,21)/b12-11+
InChIKeyVLJJNYMWPICDPY-VAWYXSNFSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide

N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide (PubChem CID 11312900) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
PubChem CID11312900
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
SMILESO=C(NC1COC(/C=C/c2ccccc2)OC1)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-19(16-9-5-2-6-10-16)20-17-13-22-18(23-14-17)12-11-15-7-3-1-4-8-15/h1-12,17-18H,13-14H2,(H,20,21)/b12-11+
InChIKeyVLJJNYMWPICDPY-VAWYXSNFSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,5S)-2-[[(2S,5R)-5-benzamido-1,3-dioxepan-2-yl]methyl]-1,3-dioxepan-5-yl]benzamide
CID 10837431
N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
CID 14954535
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
N-(3-aminocyclobutyl)benzamide
CID 43594893
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
(E)-3-[3-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231046
N-(oxan-2-yl)benzamide
CID 3717262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide?
The IUPAC name of N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide (CID 11312900) is N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide.
What is the SMILES notation for N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide?
The canonical SMILES for N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide is O=C(NC1COC(/C=C/c2ccccc2)OC1)c1ccccc1.
What is the InChIKey of N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide?
The InChIKey is VLJJNYMWPICDPY-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19(16-9-5-2-6-10-16)20-17-13-22-18(23-14-17)12-11-15-7-3-1-4-8-15/h1-12,17-18H,13-14H2,(H,20,21)/b12-11+.
What are the key properties of N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide?
N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide is sourced from PubChem (CID 11312900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).