3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide

C15H22BrNO2 — CID 115612621

IUPAC3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-3-12(4-2)11-17-15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyBTTLRLFPBRJXST-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.77
Rot. Bonds8

About 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide

3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide (PubChem CID 115612621) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
PubChem CID115612621
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-3-12(4-2)11-17-15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyBTTLRLFPBRJXST-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
N-(4-chloro-2-ethylbutyl)-3-(3-methylphenoxy)propanamide
CID 114306528
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
1-[[3-(3-bromophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450040
N-[2-(2-bromoethyl)pentyl]-3-(3-methylphenoxy)propanamide
CID 106118154

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide (CID 115612621) is 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide is CCC(CC)CNC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide?
The InChIKey is BTTLRLFPBRJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-12(4-2)11-17-15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide?
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide has a molecular weight of 328.25 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide is sourced from PubChem (CID 115612621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).