N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide

C10H20N2O3 — CID 62847455

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,11-3)9(13)12-6-8-7-14-4-5-15-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyXRHGFEQIHXKAKP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.48
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide

N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62847455) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62847455
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,11-3)9(13)12-6-8-7-14-4-5-15-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyXRHGFEQIHXKAKP-UHFFFAOYSA-N
XLogP-0.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide (CID 62847455) is N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is XRHGFEQIHXKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,11-3)9(13)12-6-8-7-14-4-5-15-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide?
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 216.28 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62847455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).