N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

C14H18BrNO3 — CID 138015104

IUPACN-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(O)cc2Br)C1
InChIInChI=1S/C14H18BrNO3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7H2,1H3,(H,16,18)
InChIKeyJLNBQZQJGJBTNC-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.30
Rot. Bonds5

About N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 138015104) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID138015104
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(O)cc2Br)C1
InChIInChI=1S/C14H18BrNO3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7H2,1H3,(H,16,18)
InChIKeyJLNBQZQJGJBTNC-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
3-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162083
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 138015104) is N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2ccc(O)cc2Br)C1.
What is the InChIKey of N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is JLNBQZQJGJBTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7H2,1H3,(H,16,18).
What are the key properties of N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 138015104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).