3-(oxan-4-ylmethylamino)propanamide

C9H18N2O2 — CID 62386217

IUPAC3-(oxan-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCOCC1
InChIInChI=1S/C9H18N2O2/c10-9(12)1-4-11-7-8-2-5-13-6-3-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyXFLZFLZKKGLCSH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds5

About 3-(oxan-4-ylmethylamino)propanamide

3-(oxan-4-ylmethylamino)propanamide (PubChem CID 62386217) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(oxan-4-ylmethylamino)propanamide
PubChem CID62386217
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(oxan-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCOCC1
InChIInChI=1S/C9H18N2O2/c10-9(12)1-4-11-7-8-2-5-13-6-3-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyXFLZFLZKKGLCSH-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(oxan-4-ylmethylamino)propanamide?
The IUPAC name of 3-(oxan-4-ylmethylamino)propanamide (CID 62386217) is 3-(oxan-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-(oxan-4-ylmethylamino)propanamide?
The canonical SMILES for 3-(oxan-4-ylmethylamino)propanamide is NC(=O)CCNCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethylamino)propanamide?
The InChIKey is XFLZFLZKKGLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(12)1-4-11-7-8-2-5-13-6-3-8/h8,11H,1-7H2,(H2,10,12).
What are the key properties of 3-(oxan-4-ylmethylamino)propanamide?
3-(oxan-4-ylmethylamino)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylamino)propanamide is sourced from PubChem (CID 62386217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).