3-(1,3-dioxan-4-ylmethylamino)propanamide

C8H16N2O3 — CID 81101673

IUPAC3-(1,3-dioxan-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCOCO1
InChIInChI=1S/C8H16N2O3/c9-8(11)1-3-10-5-7-2-4-12-6-13-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyWVPKAGLNDHYSMZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.79
Rot. Bonds5

About 3-(1,3-dioxan-4-ylmethylamino)propanamide

3-(1,3-dioxan-4-ylmethylamino)propanamide (PubChem CID 81101673) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(1,3-dioxan-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxan-4-ylmethylamino)propanamide
PubChem CID81101673
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(1,3-dioxan-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCOCO1
InChIInChI=1S/C8H16N2O3/c9-8(11)1-3-10-5-7-2-4-12-6-13-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyWVPKAGLNDHYSMZ-UHFFFAOYSA-N
XLogP-0.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)propanamide?
The IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)propanamide (CID 81101673) is 3-(1,3-dioxan-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-(1,3-dioxan-4-ylmethylamino)propanamide?
The canonical SMILES for 3-(1,3-dioxan-4-ylmethylamino)propanamide is NC(=O)CCNCC1CCOCO1.
What is the InChIKey of 3-(1,3-dioxan-4-ylmethylamino)propanamide?
The InChIKey is WVPKAGLNDHYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-8(11)1-3-10-5-7-2-4-12-6-13-7/h7,10H,1-6H2,(H2,9,11).
What are the key properties of 3-(1,3-dioxan-4-ylmethylamino)propanamide?
3-(1,3-dioxan-4-ylmethylamino)propanamide has a molecular weight of 188.23 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-4-ylmethylamino)propanamide is sourced from PubChem (CID 81101673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).