N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide

C11H22ClNO2 — CID 106168242

IUPACN-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)(CCCl)NC(=O)COC(C)C
InChIInChI=1S/C11H22ClNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyDZQMCHVRPVFVNH-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.33
Rot. Bonds7

About N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide

N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide (PubChem CID 106168242) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
PubChem CID106168242
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)(CCCl)NC(=O)COC(C)C
InChIInChI=1S/C11H22ClNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyDZQMCHVRPVFVNH-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.33
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

N-(1-amino-2-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604252
N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
CID 106168655
N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604100
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-amino-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106164834
N-(1-chloro-3-methylpentan-3-yl)-2-methyl-2-methylsulfonylpropanamide
CID 106168157
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide (CID 106168242) is N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide is CCC(C)(CCCl)NC(=O)COC(C)C.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The InChIKey is DZQMCHVRPVFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide has a molecular weight of 235.75 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 106168242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).