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

CID 674227
CID 674227
CID 44435103
CID 44435103
CID 44435105
CID 44435105
CID 15345
CID 15345
CID 44434956
CID 44434956
CID 44434959
CID 44434959
CID 44434960
CID 44434960
CID 44434963
CID 44434963
CID 44434964
CID 44434964
CID 44435005
CID 44435005
CID 44435006
CID 44435006
CID 44435019
CID 44435019

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).