N-(3-methyloxan-3-yl)-2-propoxyacetamide

C11H21NO3 — CID 103897028

IUPACN-(3-methyloxan-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-6-14-8-10(13)12-11(2)5-4-7-15-9-11/h3-9H2,1-2H3,(H,12,13)
InChIKeySWVJZKSKIGSUNR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About N-(3-methyloxan-3-yl)-2-propoxyacetamide

N-(3-methyloxan-3-yl)-2-propoxyacetamide (PubChem CID 103897028) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3-methyloxan-3-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(3-methyloxan-3-yl)-2-propoxyacetamide
PubChem CID103897028
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3-methyloxan-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-6-14-8-10(13)12-11(2)5-4-7-15-9-11/h3-9H2,1-2H3,(H,12,13)
InChIKeySWVJZKSKIGSUNR-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 N-(3-methyloxan-3-yl)-2-propoxyacetamide?
The IUPAC name of N-(3-methyloxan-3-yl)-2-propoxyacetamide (CID 103897028) is N-(3-methyloxan-3-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(3-methyloxan-3-yl)-2-propoxyacetamide?
The canonical SMILES for N-(3-methyloxan-3-yl)-2-propoxyacetamide is CCCOCC(=O)NC1(C)CCCOC1.
What is the InChIKey of N-(3-methyloxan-3-yl)-2-propoxyacetamide?
The InChIKey is SWVJZKSKIGSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-6-14-8-10(13)12-11(2)5-4-7-15-9-11/h3-9H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methyloxan-3-yl)-2-propoxyacetamide?
N-(3-methyloxan-3-yl)-2-propoxyacetamide has a molecular weight of 215.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-3-yl)-2-propoxyacetamide is sourced from PubChem (CID 103897028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).