3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide

C10H20N2O3 — CID 104585278

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1COC(C)(C)OC1
InChIInChI=1S/C10H20N2O3/c1-7(4-9(11)13)12-8-5-14-10(2,3)15-6-8/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyIPZHALUGNDTGPP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds4

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide (PubChem CID 104585278) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
PubChem CID104585278
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1COC(C)(C)OC1
InChIInChI=1S/C10H20N2O3/c1-7(4-9(11)13)12-8-5-14-10(2,3)15-6-8/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyIPZHALUGNDTGPP-UHFFFAOYSA-N
XLogP-0.01
TPSA73.58 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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide (CID 104585278) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide is CC(CC(N)=O)NC1COC(C)(C)OC1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide?
The InChIKey is IPZHALUGNDTGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(4-9(11)13)12-8-5-14-10(2,3)15-6-8/h7-8,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide is sourced from PubChem (CID 104585278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).