2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide

C15H22BrNO3 — CID 65112101

IUPAC2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-12(16)7-9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFVXNGMKDOJQOLP-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.88
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide

2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 65112101) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID65112101
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-12(16)7-9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFVXNGMKDOJQOLP-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66170661
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
4-[2-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81063444
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751607
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 65112101) is 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is FVXNGMKDOJQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-12(16)7-9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide?
2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 344.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 65112101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).