3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

C17H24BrNO2 — CID 62526163

IUPAC3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCC1CCCC(CO)(NC(=O)CCc2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrNO2/c1-13-4-3-9-17(11-13,12-20)19-16(21)8-7-14-5-2-6-15(18)10-14/h2,5-6,10,13,20H,3-4,7-9,11-12H2,1H3,(H,19,21)
InChIKeyPGNPEWZIYDMWEO-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (PubChem CID 62526163) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
PubChem CID62526163
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCC1CCCC(CO)(NC(=O)CCc2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrNO2/c1-13-4-3-9-17(11-13,12-20)19-16(21)8-7-14-5-2-6-15(18)10-14/h2,5-6,10,13,20H,3-4,7-9,11-12H2,1H3,(H,19,21)
InChIKeyPGNPEWZIYDMWEO-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
1-[3-(3-bromophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450964
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]benzamide
CID 113275678
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(3-bromophenyl)acetamide
CID 114314942
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (CID 62526163) is 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is CC1CCCC(CO)(NC(=O)CCc2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The InChIKey is PGNPEWZIYDMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-13-4-3-9-17(11-13,12-20)19-16(21)8-7-14-5-2-6-15(18)10-14/h2,5-6,10,13,20H,3-4,7-9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide has a molecular weight of 354.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 62526163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).