2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C24H30BrNO2 — CID 133191470

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30BrNO2/c1-4-22(20-10-9-17-7-5-6-8-19(17)13-20)26-24(27)15-28-23-12-11-18(16(2)3)14-21(23)25/h9-14,16,22H,4-8,15H2,1-3H3,(H,26,27)
InChIKeyGWTRZVSOGDZUMJ-UHFFFAOYSA-N
MW444.41 g/mol
LogP6.10
Rot. Bonds7

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191470) has the molecular formula C24H30BrNO2 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID133191470
Molecular FormulaC24H30BrNO2
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30BrNO2/c1-4-22(20-10-9-17-7-5-6-8-19(17)13-20)26-24(27)15-28-23-12-11-18(16(2)3)14-21(23)25/h9-14,16,22H,4-8,15H2,1-3H3,(H,26,27)
InChIKeyGWTRZVSOGDZUMJ-UHFFFAOYSA-N
XLogP6.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide with MolForge

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Related Compounds

2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108881989
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133199402
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 1314158
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(2,4-dichlorophenoxy)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191470) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is GWTRZVSOGDZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrNO2/c1-4-22(20-10-9-17-7-5-6-8-19(17)13-20)26-24(27)15-28-23-12-11-18(16(2)3)14-21(23)25/h9-14,16,22H,4-8,15H2,1-3H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 444.41 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).