N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide

C11H22ClNO2 — CID 63665278

IUPACN-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide
SMILESCCCCOCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO2/c1-4-5-7-15-8-6-13-10(14)11(2,3)9-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyXZOXUUVZTLGLJI-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.18
Rot. Bonds8

About N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide

N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 63665278) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID63665278
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide
SMILESCCCCOCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO2/c1-4-5-7-15-8-6-13-10(14)11(2,3)9-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyXZOXUUVZTLGLJI-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide (CID 63665278) is N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide is CCCCOCCNC(=O)C(C)(C)CCl.
What is the InChIKey of N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is XZOXUUVZTLGLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-4-5-7-15-8-6-13-10(14)11(2,3)9-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide?
N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 235.75 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 63665278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).