2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide

C17H24BrNO2 — CID 112788528

IUPAC2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
SMILESCc1ccc(OC(C)C(=O)N(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C17H24BrNO2/c1-12-9-10-16(15(18)11-12)21-13(2)17(20)19(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3
InChIKeyDQPXXBCYUOVUHT-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide

2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide (PubChem CID 112788528) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
PubChem CID112788528
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
SMILESCc1ccc(OC(C)C(=O)N(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C17H24BrNO2/c1-12-9-10-16(15(18)11-12)21-13(2)17(20)19(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3
InChIKeyDQPXXBCYUOVUHT-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 86805914
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
methyl 2-[2-(2-bromo-4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
CID 78888417
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
[3-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxy-2-formylphenyl]boronic acid
CID 167980474
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487209
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510639

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide (CID 112788528) is 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide is Cc1ccc(OC(C)C(=O)N(C)C2CCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is DQPXXBCYUOVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-12-9-10-16(15(18)11-12)21-13(2)17(20)19(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide?
2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 354.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 112788528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).