4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide

C15H22BrNO4 — CID 103877004

IUPAC4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
SMILESCOCC(O)CCNC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO4/c1-20-11-13(18)8-9-17-15(19)3-2-10-21-14-6-4-12(16)5-7-14/h4-7,13,18H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyLHOJSDWDRAOXME-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.12
Rot. Bonds10

About 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide

4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide (PubChem CID 103877004) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
PubChem CID103877004
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
SMILESCOCC(O)CCNC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO4/c1-20-11-13(18)8-9-17-15(19)3-2-10-21-14-6-4-12(16)5-7-14/h4-7,13,18H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyLHOJSDWDRAOXME-UHFFFAOYSA-N
XLogP2.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
(E)-3-(4-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103876818
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide (CID 103877004) is 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide is COCC(O)CCNC(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide?
The InChIKey is LHOJSDWDRAOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-20-11-13(18)8-9-17-15(19)3-2-10-21-14-6-4-12(16)5-7-14/h4-7,13,18H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide?
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide has a molecular weight of 360.25 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide is sourced from PubChem (CID 103877004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).