4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide

C15H22BrNO3 — CID 60655942

IUPAC4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
SMILESCCCN(CCO)C(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-2-9-17(10-11-18)15(19)4-3-12-20-14-7-5-13(16)6-8-14/h5-8,18H,2-4,9-12H2,1H3
InChIKeySQTNMNUJGDIPND-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.84
Rot. Bonds9

About 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide

4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide (PubChem CID 60655942) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
PubChem CID60655942
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
SMILESCCCN(CCO)C(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-2-9-17(10-11-18)15(19)4-3-12-20-14-7-5-13(16)6-8-14/h5-8,18H,2-4,9-12H2,1H3
InChIKeySQTNMNUJGDIPND-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 43576564
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
2-[4-(4-bromophenoxy)butanoyl-methylamino]propanoic acid
CID 62626731
2-(4-cyanophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655991
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
CID 120563461
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide (CID 60655942) is 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide is CCCN(CCO)C(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide?
The InChIKey is SQTNMNUJGDIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-2-9-17(10-11-18)15(19)4-3-12-20-14-7-5-13(16)6-8-14/h5-8,18H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide?
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide has a molecular weight of 344.25 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide is sourced from PubChem (CID 60655942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).