3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide

C17H24BrNO2 — CID 46567913

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H24BrNO2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,19,20)
InChIKeyUWTVSVDKKOWOMA-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.09
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide

3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide (PubChem CID 46567913) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
PubChem CID46567913
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H24BrNO2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,19,20)
InChIKeyUWTVSVDKKOWOMA-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
CID 173335961
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide (CID 46567913) is 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide is COc1ccc(CCC(=O)NC2CCC(C)CC2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is UWTVSVDKKOWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 354.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 46567913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).