N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide

C19H21NO4 — CID 100778993

IUPACN-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1
InChIInChI=1S/C19H21NO4/c1-19(18(21)20-15-8-10-16(22-2)11-9-15)12-23-17(24-13-19)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,20,21)
InChIKeyVPPJZQSPFYJPGS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.39
Rot. Bonds4

About N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide

N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide (PubChem CID 100778993) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
PubChem CID100778993
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1
InChIInChI=1S/C19H21NO4/c1-19(18(21)20-15-8-10-16(22-2)11-9-15)12-23-17(24-13-19)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,20,21)
InChIKeyVPPJZQSPFYJPGS-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779297
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779634
N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779916
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
5-methyl-2-[4-(thietan-3-yloxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-dioxane-5-carboxamide
CID 100780047
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
5-methyl-2-phenyl-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dioxane-5-carboxamide
CID 100779046
N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779347
N-(4-methoxy-2-methylphenyl)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3-dioxane-5-carboxamide
CID 100779470

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide (CID 100778993) is N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide is COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide?
The InChIKey is VPPJZQSPFYJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(18(21)20-15-8-10-16(22-2)11-9-15)12-23-17(24-13-19)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide?
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100778993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).