2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide

C22H34BrNO2 — CID 19201445

IUPAC2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
SMILESCCc1cc(Br)ccc1OCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34BrNO2/c1-2-18-16-19(23)14-15-21(18)26-17-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-16,20H,2-13,17H2,1H3,(H,24,25)
InChIKeyBNYNQLSDPKEPJC-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.18
Rot. Bonds5

About 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide

2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide (PubChem CID 19201445) has the molecular formula C22H34BrNO2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
PubChem CID19201445
Molecular FormulaC22H34BrNO2
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
SMILESCCc1cc(Br)ccc1OCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34BrNO2/c1-2-18-16-19(23)14-15-21(18)26-17-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-16,20H,2-13,17H2,1H3,(H,24,25)
InChIKeyBNYNQLSDPKEPJC-UHFFFAOYSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 43277622
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide (CID 19201445) is 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide is CCc1cc(Br)ccc1OCC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide?
The InChIKey is BNYNQLSDPKEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrNO2/c1-2-18-16-19(23)14-15-21(18)26-17-22(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-16,20H,2-13,17H2,1H3,(H,24,25).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide?
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide has a molecular weight of 424.42 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide is sourced from PubChem (CID 19201445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).