N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide

C24H29NO4 — CID 160612318

IUPACN-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide
SMILESCC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C)c2)COC(C)(C)OC1
InChIInChI=1S/C24H29NO4/c1-18-14-20(10-11-22(18)27-15-21-8-6-5-7-9-21)12-13-24(25-19(2)26)16-28-23(3,4)29-17-24/h5-14H,15-17H2,1-4H3,(H,25,26)/b13-12+
InChIKeyUEJRMNPYXKLTMU-OUKQBFOZSA-N
MW395.50 g/mol
LogP4.25
Rot. Bonds6

About N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide

N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide (PubChem CID 160612318) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide
PubChem CID160612318
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide
SMILESCC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C)c2)COC(C)(C)OC1
InChIInChI=1S/C24H29NO4/c1-18-14-20(10-11-22(18)27-15-21-8-6-5-7-9-21)12-13-24(25-19(2)26)16-28-23(3,4)29-17-24/h5-14H,15-17H2,1-4H3,(H,25,26)/b13-12+
InChIKeyUEJRMNPYXKLTMU-OUKQBFOZSA-N
XLogP4.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-5-[(E)-2-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]acetamide
CID 118344221
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 22708434
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid;3-methyl-4-phenylmethoxybenzaldehyde
CID 173269771
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
methyl (E)-3-(3-iodo-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684493
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide?
The IUPAC name of N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide (CID 160612318) is N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide.
What is the SMILES notation for N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide?
The canonical SMILES for N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide is CC(=O)NC1(/C=C/c2ccc(OCc3ccccc3)c(C)c2)COC(C)(C)OC1.
What is the InChIKey of N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide?
The InChIKey is UEJRMNPYXKLTMU-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H29NO4/c1-18-14-20(10-11-22(18)27-15-21-8-6-5-7-9-21)12-13-24(25-19(2)26)16-28-23(3,4)29-17-24/h5-14H,15-17H2,1-4H3,(H,25,26)/b13-12+.
What are the key properties of N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide?
N-[2,2-dimethyl-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.25, 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-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-dioxan-5-yl]acetamide is sourced from PubChem (CID 160612318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).