3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

C16H24BrNO3 — CID 66178943

IUPAC3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO3/c1-12(2)10-16(3,20)11-18-15(19)7-8-21-14-6-4-5-13(17)9-14/h4-6,9,12,20H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyQLOPBWZYSCYGDC-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.13
Rot. Bonds8

About 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (PubChem CID 66178943) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
PubChem CID66178943
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO3/c1-12(2)10-16(3,20)11-18-15(19)7-8-21-14-6-4-5-13(17)9-14/h4-6,9,12,20H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyQLOPBWZYSCYGDC-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
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CID 66179359
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 51146623
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (CID 66178943) is 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide is CC(C)CC(C)(O)CNC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The InChIKey is QLOPBWZYSCYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-12(2)10-16(3,20)11-18-15(19)7-8-21-14-6-4-5-13(17)9-14/h4-6,9,12,20H,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide has a molecular weight of 358.28 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide is sourced from PubChem (CID 66178943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).