2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide

C22H34BrNO2 — CID 19175356

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34BrNO2/c1-17-14-19(23)15-18(2)22(17)26-16-21(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-15,20H,3-13,16H2,1-2H3,(H,24,25)
InChIKeyLSPSJTXQHORTQP-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.23
Rot. Bonds4

About 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide (PubChem CID 19175356) has the molecular formula C22H34BrNO2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
PubChem CID19175356
Molecular FormulaC22H34BrNO2
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34BrNO2/c1-17-14-19(23)15-18(2)22(17)26-16-21(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-15,20H,3-13,16H2,1-2H3,(H,24,25)
InChIKeyLSPSJTXQHORTQP-UHFFFAOYSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915
5-bromo-2-[2-(cyclopropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 112620836
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17188450
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide
CID 19201338

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide (CID 19175356) is 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide is Cc1cc(Br)cc(C)c1OCC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide?
The InChIKey is LSPSJTXQHORTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrNO2/c1-17-14-19(23)15-18(2)22(17)26-16-21(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-15,20H,3-13,16H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide has a molecular weight of 424.42 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide is sourced from PubChem (CID 19175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).