N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide

C15H22ClNO2 — CID 114242753

IUPACN-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CCOCCCl)cc1
InChIInChI=1S/C15H22ClNO2/c1-13-3-5-14(6-4-13)7-8-15(18)17(2)10-12-19-11-9-16/h3-6H,7-12H2,1-2H3
InChIKeyKWYNWEVJYVXDIZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide

N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide (PubChem CID 114242753) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
PubChem CID114242753
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CCOCCCl)cc1
InChIInChI=1S/C15H22ClNO2/c1-13-3-5-14(6-4-13)7-8-15(18)17(2)10-12-19-11-9-16/h3-6H,7-12H2,1-2H3
InChIKeyKWYNWEVJYVXDIZ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide (CID 114242753) is N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(C)CCOCCCl)cc1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is KWYNWEVJYVXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-13-3-5-14(6-4-13)7-8-15(18)17(2)10-12-19-11-9-16/h3-6H,7-12H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 283.80 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 114242753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).