2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

C16H22BrNO3 — CID 65119112

IUPAC2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO3/c1-12-5-7-16(20,8-6-12)11-18-15(19)10-21-14-4-2-3-13(17)9-14/h2-4,9,12,20H,5-8,10-11H2,1H3,(H,18,19)
InChIKeyJFMKTTKBUCAXHN-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (PubChem CID 65119112) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
PubChem CID65119112
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO3/c1-12-5-7-16(20,8-6-12)11-18-15(19)10-21-14-4-2-3-13(17)9-14/h2-4,9,12,20H,5-8,10-11H2,1H3,(H,18,19)
InChIKeyJFMKTTKBUCAXHN-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

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Related Compounds

2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124161
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (CID 65119112) is 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is CC1CCC(O)(CNC(=O)COc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The InChIKey is JFMKTTKBUCAXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-12-5-7-16(20,8-6-12)11-18-15(19)10-21-14-4-2-3-13(17)9-14/h2-4,9,12,20H,5-8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]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-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65119112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).