4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide

C15H20BrNO3 — CID 43576564

IUPAC4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)N(CCO)C1CC1
InChIInChI=1S/C15H20BrNO3/c16-12-3-7-14(8-4-12)20-11-1-2-15(19)17(9-10-18)13-5-6-13/h3-4,7-8,13,18H,1-2,5-6,9-11H2
InChIKeyMEZOFVDFGKSONP-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.59
Rot. Bonds8

About 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide

4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide (PubChem CID 43576564) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
PubChem CID43576564
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)N(CCO)C1CC1
InChIInChI=1S/C15H20BrNO3/c16-12-3-7-14(8-4-12)20-11-1-2-15(19)17(9-10-18)13-5-6-13/h3-4,7-8,13,18H,1-2,5-6,9-11H2
InChIKeyMEZOFVDFGKSONP-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.59
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

3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684243
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
2-(4-bromophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866038
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
N-cyclohexyl-N-(2-hydroxyethyl)-4-[3-(3-hydroxypropyl)-4-nitrophenoxy]butanamide
CID 70516624
N-cyclohexyl-4-(3-formyl-4-nitrophenoxy)-N-(2-hydroxyethyl)butanamide
CID 13364984
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13288178
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
(4-bromophenyl) 4-(4-bromophenoxy)butanoate
CID 14661638

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide (CID 43576564) is 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide is O=C(CCCOc1ccc(Br)cc1)N(CCO)C1CC1.
What is the InChIKey of 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is MEZOFVDFGKSONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-3-7-14(8-4-12)20-11-1-2-15(19)17(9-10-18)13-5-6-13/h3-4,7-8,13,18H,1-2,5-6,9-11H2.
What are the key properties of 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 342.23 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 43576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).