N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide

C11H20ClNO2 — CID 106300401

IUPACN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C11H20ClNO2/c1-10(2,3)9(14)13-11(8-12)4-6-15-7-5-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyYAAMZURFNDQPAR-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds2

About N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide

N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide (PubChem CID 106300401) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
PubChem CID106300401
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C11H20ClNO2/c1-10(2,3)9(14)13-11(8-12)4-6-15-7-5-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyYAAMZURFNDQPAR-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[3-(chloromethyl)oxolan-3-yl]acetamide
CID 131008261
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide (CID 106300401) is N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide?
The InChIKey is YAAMZURFNDQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-10(2,3)9(14)13-11(8-12)4-6-15-7-5-11/h4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide?
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 106300401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).