3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C13H18BrNO3 — CID 43390558

IUPAC3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyNUBDFXMOAZYUDG-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.11
Rot. Bonds6

About 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 43390558) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID43390558
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyNUBDFXMOAZYUDG-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782567
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
2-[3-(3-bromophenoxy)propanoylamino]butanedioic acid
CID 78910189
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 43390558) is 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is NUBDFXMOAZYUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 316.19 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 43390558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).