N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide

C14H20BrNO3 — CID 106245135

IUPACN-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
SMILESCOCC(Br)CCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20BrNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-7-6-12(15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyKCWGSWDOSPQATM-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.53
Rot. Bonds7

About N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide

N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide (PubChem CID 106245135) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
PubChem CID106245135
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
SMILESCOCC(Br)CCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20BrNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-7-6-12(15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyKCWGSWDOSPQATM-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
N-(3-bromo-4-methoxybutyl)-3,4,5-trifluorobenzamide
CID 106244860
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114151199
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide (CID 106245135) is N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide is COCC(Br)CCNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide?
The InChIKey is KCWGSWDOSPQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-7-6-12(15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide?
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 106245135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).