N-(4-methyloxan-4-yl)-2-propoxyacetamide

C11H21NO3 — CID 103839466

IUPACN-(4-methyloxan-4-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-6-15-9-10(13)12-11(2)4-7-14-8-5-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyYOHYEIUGQNVKSD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About N-(4-methyloxan-4-yl)-2-propoxyacetamide

N-(4-methyloxan-4-yl)-2-propoxyacetamide (PubChem CID 103839466) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-2-propoxyacetamide
PubChem CID103839466
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(4-methyloxan-4-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-6-15-9-10(13)12-11(2)4-7-14-8-5-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyYOHYEIUGQNVKSD-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-(4-methyloxan-4-yl)-2-propoxyacetamide?
The IUPAC name of N-(4-methyloxan-4-yl)-2-propoxyacetamide (CID 103839466) is N-(4-methyloxan-4-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)-2-propoxyacetamide?
The canonical SMILES for N-(4-methyloxan-4-yl)-2-propoxyacetamide is CCCOCC(=O)NC1(C)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-2-propoxyacetamide?
The InChIKey is YOHYEIUGQNVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-6-15-9-10(13)12-11(2)4-7-14-8-5-11/h3-9H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methyloxan-4-yl)-2-propoxyacetamide?
N-(4-methyloxan-4-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-(4-methyloxan-4-yl)-2-propoxyacetamide is sourced from PubChem (CID 103839466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).