3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide

C10H20ClNO2 — CID 79389813

IUPAC3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-9(2,6-11)8(13)12(5)7-10(3,4)14/h14H,6-7H2,1-5H3
InChIKeyLJSPQPDWXYYLAV-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.48
Rot. Bonds4

About 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide

3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide (PubChem CID 79389813) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
PubChem CID79389813
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-9(2,6-11)8(13)12(5)7-10(3,4)14/h14H,6-7H2,1-5H3
InChIKeyLJSPQPDWXYYLAV-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide (CID 79389813) is 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide is CN(CC(C)(C)O)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide?
The InChIKey is LJSPQPDWXYYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-9(2,6-11)8(13)12(5)7-10(3,4)14/h14H,6-7H2,1-5H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide?
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 79389813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).