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

C17H25NO2 — CID 2408757

IUPAC3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-3-8-15(9-4-13)18-17(19)12-7-14-5-10-16(20-2)11-6-14/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H,18,19)
InChIKeyJNEPROQJHUKKHT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.32
Rot. Bonds5

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

3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide (PubChem CID 2408757) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
PubChem CID2408757
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-3-8-15(9-4-13)18-17(19)12-7-14-5-10-16(20-2)11-6-14/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H,18,19)
InChIKeyJNEPROQJHUKKHT-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide (CID 2408757) is 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide is COc1ccc(CCC(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is JNEPROQJHUKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-3-8-15(9-4-13)18-17(19)12-7-14-5-10-16(20-2)11-6-14/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide?
3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 2408757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).