N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide

C9H19NO3 — CID 88884080

IUPACN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOC(C)(C)CCO
InChIInChI=1S/C9H19NO3/c1-8(12)10-5-7-13-9(2,3)4-6-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyCQXZYUNPLKATLH-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide

N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide (PubChem CID 88884080) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide
PubChem CID88884080
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOC(C)(C)CCO
InChIInChI=1S/C9H19NO3/c1-8(12)10-5-7-13-9(2,3)4-6-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyCQXZYUNPLKATLH-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
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 N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide?
The IUPAC name of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide (CID 88884080) is N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide?
The canonical SMILES for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide is CC(=O)NCCOC(C)(C)CCO.
What is the InChIKey of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide?
The InChIKey is CQXZYUNPLKATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(12)10-5-7-13-9(2,3)4-6-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide?
N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide is sourced from PubChem (CID 88884080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).