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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4961822
CID 4961822
CID 15128
CID 15128
CID 75298
CID 75298
CID 154856884
CID 154856884
CID 2454968
CID 2454968
CID 4868368
CID 4868368
CID 35313
CID 35313
CID 35328
CID 35328
CID 2392406
CID 2392406
CID 4639192
CID 4639192
CID 229748
CID 229748
CID 15136822
CID 15136822

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).