N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide

C15H22ClNO — CID 115162393

IUPACN-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
SMILESCc1ccc(C(C)(C)C)cc1N(C)C(=O)CCCl
InChIInChI=1S/C15H22ClNO/c1-11-6-7-12(15(2,3)4)10-13(11)17(5)14(18)8-9-16/h6-7,10H,8-9H2,1-5H3
InChIKeyQINMXADAJAXEPE-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.88
Rot. Bonds3

About N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide

N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide (PubChem CID 115162393) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
PubChem CID115162393
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
SMILESCc1ccc(C(C)(C)C)cc1N(C)C(=O)CCCl
InChIInChI=1S/C15H22ClNO/c1-11-6-7-12(15(2,3)4)10-13(11)17(5)14(18)8-9-16/h6-7,10H,8-9H2,1-5H3
InChIKeyQINMXADAJAXEPE-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.88
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-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115162405
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
2-(5-tert-butyl-N,2-dimethylanilino)ethanol
CID 115216089
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide (CID 115162393) is N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide is Cc1ccc(C(C)(C)C)cc1N(C)C(=O)CCCl.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide?
The InChIKey is QINMXADAJAXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-6-7-12(15(2,3)4)10-13(11)17(5)14(18)8-9-16/h6-7,10H,8-9H2,1-5H3.
What are the key properties of N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide?
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide has a molecular weight of 267.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide is sourced from PubChem (CID 115162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).