N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide

C14H20BrNO2 — CID 106307754

IUPACN-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCOCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-12-3-5-13(6-4-12)11-14(17)16-8-2-9-18-10-7-15/h3-6H,2,7-11H2,1H3,(H,16,17)
InChIKeyLSMSRZNMAUNASC-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.46
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide

N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 106307754) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
PubChem CID106307754
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCOCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-12-3-5-13(6-4-12)11-14(17)16-8-2-9-18-10-7-15/h3-6H,2,7-11H2,1H3,(H,16,17)
InChIKeyLSMSRZNMAUNASC-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
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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Related Compounds

N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
CID 106307633
N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114309403
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[3-(2-bromoethoxy)propyl]-5-methyl-2-nitrobenzamide
CID 106307487
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide (CID 106307754) is N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCOCCBr)cc1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is LSMSRZNMAUNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-12-3-5-13(6-4-12)11-14(17)16-8-2-9-18-10-7-15/h3-6H,2,7-11H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide?
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106307754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).