4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide

C16H23NO4 — CID 90769130

IUPAC4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCC1COC(C)(C)OC1
InChIInChI=1S/C16H23NO4/c1-10-5-13(15(17)18)6-11(2)14(10)19-7-12-8-20-16(3,4)21-9-12/h5-6,12H,7-9H2,1-4H3,(H2,17,18)
InChIKeyCXXPDBPERAOVEO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.18
Rot. Bonds4

About 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide

4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide (PubChem CID 90769130) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide
PubChem CID90769130
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCC1COC(C)(C)OC1
InChIInChI=1S/C16H23NO4/c1-10-5-13(15(17)18)6-11(2)14(10)19-7-12-8-20-16(3,4)21-9-12/h5-6,12H,7-9H2,1-4H3,(H2,17,18)
InChIKeyCXXPDBPERAOVEO-UHFFFAOYSA-N
XLogP2.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide (CID 90769130) is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1OCC1COC(C)(C)OC1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide?
The InChIKey is CXXPDBPERAOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-5-13(15(17)18)6-11(2)14(10)19-7-12-8-20-16(3,4)21-9-12/h5-6,12H,7-9H2,1-4H3,(H2,17,18).
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide?
4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide has a molecular weight of 293.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylbenzamide is sourced from PubChem (CID 90769130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).