2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

C16H22BrNO3 — CID 62526654

IUPAC2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO3/c1-12-6-8-16(11-19,9-7-12)18-15(20)10-21-14-4-2-13(17)3-5-14/h2-5,12,19H,6-11H2,1H3,(H,18,20)
InChIKeyYMFSIACWQLZMAO-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (PubChem CID 62526654) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
PubChem CID62526654
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO3/c1-12-6-8-16(11-19,9-7-12)18-15(20)10-21-14-4-2-13(17)3-5-14/h2-5,12,19H,6-11H2,1H3,(H,18,20)
InChIKeyYMFSIACWQLZMAO-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
CID 62526000
[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
CID 62552357
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (CID 62526654) is 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is CC1CCC(CO)(NC(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The InChIKey is YMFSIACWQLZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-12-6-8-16(11-19,9-7-12)18-15(20)10-21-14-4-2-13(17)3-5-14/h2-5,12,19H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is sourced from PubChem (CID 62526654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).