2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide

C17H26ClNO — CID 134967199

IUPAC2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCCC(C)(C)N(Cc1c(C)cc(C)cc1C)C(=O)CCl
InChIInChI=1S/C17H26ClNO/c1-7-17(5,6)19(16(20)10-18)11-15-13(3)8-12(2)9-14(15)4/h8-9H,7,10-11H2,1-6H3
InChIKeyHZEIMDMMZCOEMN-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide

2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide (PubChem CID 134967199) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
PubChem CID134967199
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCCC(C)(C)N(Cc1c(C)cc(C)cc1C)C(=O)CCl
InChIInChI=1S/C17H26ClNO/c1-7-17(5,6)19(16(20)10-18)11-15-13(3)8-12(2)9-14(15)4/h8-9H,7,10-11H2,1-6H3
InChIKeyHZEIMDMMZCOEMN-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide (CID 134967199) is 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide is CCC(C)(C)N(Cc1c(C)cc(C)cc1C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The InChIKey is HZEIMDMMZCOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-7-17(5,6)19(16(20)10-18)11-15-13(3)8-12(2)9-14(15)4/h8-9H,7,10-11H2,1-6H3.
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide has a molecular weight of 295.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutan-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 134967199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).