2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide

C14H20ClNO — CID 62226068

IUPAC2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCCNC(=O)C(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20ClNO/c1-5-6-16-14(17)13(15)12-10(3)7-9(2)8-11(12)4/h7-8,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyMUAVGHNKPXWXET-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide

2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 62226068) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID62226068
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCCNC(=O)C(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20ClNO/c1-5-6-16-14(17)13(15)12-10(3)7-9(2)8-11(12)4/h7-8,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyMUAVGHNKPXWXET-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
CID 62224768
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2,3,5-trimethyl-N-propylbenzamide
CID 66873398
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
[1-oxo-1-(propylamino)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169670
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide (CID 62226068) is 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide is CCCNC(=O)C(Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MUAVGHNKPXWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-5-6-16-14(17)13(15)12-10(3)7-9(2)8-11(12)4/h7-8,13H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide?
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 253.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 62226068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).