N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide

C21H25NO3 — CID 86286846

IUPACN-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
SMILESCN(CC1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-22(15-19-16-24-12-13-25-19)21(23)14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3
InChIKeyMUQLFDKGXXKWAS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide

N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide (PubChem CID 86286846) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
PubChem CID86286846
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
SMILESCN(CC1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-22(15-19-16-24-12-13-25-19)21(23)14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3
InChIKeyMUQLFDKGXXKWAS-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide (CID 86286846) is N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide is CN(CC1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide?
The InChIKey is MUQLFDKGXXKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(15-19-16-24-12-13-25-19)21(23)14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide?
N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide is sourced from PubChem (CID 86286846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).