3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide

C11H22ClNO — CID 63680154

IUPAC3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-6-9(2)7-13(5)10(14)11(3,4)8-12/h9H,6-8H2,1-5H3
InChIKeyXKBJSTKLGVKKEA-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.76
Rot. Bonds5

About 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide

3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide (PubChem CID 63680154) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
PubChem CID63680154
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-6-9(2)7-13(5)10(14)11(3,4)8-12/h9H,6-8H2,1-5H3
InChIKeyXKBJSTKLGVKKEA-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
2-amino-2-cyclopropyl-N-methyl-N-(2-methylbutyl)propanamide
CID 60867524
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
CID 79389813
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
CID 63680724
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide (CID 63680154) is 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide is CCC(C)CN(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide?
The InChIKey is XKBJSTKLGVKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-6-9(2)7-13(5)10(14)11(3,4)8-12/h9H,6-8H2,1-5H3.
What are the key properties of 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide?
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide has a molecular weight of 219.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 63680154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).