N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide

C14H20BrNO3 — CID 114163410

IUPACN-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
SMILESCOCC(Br)CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H20BrNO3/c1-18-11-12(15)7-9-16-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17)
InChIKeyBSTSOADENLDXKG-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.37
Rot. Bonds9

About N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide

N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide (PubChem CID 114163410) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
PubChem CID114163410
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
SMILESCOCC(Br)CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H20BrNO3/c1-18-11-12(15)7-9-16-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17)
InChIKeyBSTSOADENLDXKG-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.37
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-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide (CID 114163410) is N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide is COCC(Br)CCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide?
The InChIKey is BSTSOADENLDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-18-11-12(15)7-9-16-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide?
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide has a molecular weight of 330.22 g/mol, XLogP of 2.37, 9 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-phenoxypropanamide is sourced from PubChem (CID 114163410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).