N-cyclohexyl-3-(4-methoxyphenoxy)propanamide

C16H23NO3 — CID 974927

IUPACN-cyclohexyl-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-14-7-9-15(10-8-14)20-12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyLGQRCJUPZSHCHK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.91
Rot. Bonds6

About N-cyclohexyl-3-(4-methoxyphenoxy)propanamide

N-cyclohexyl-3-(4-methoxyphenoxy)propanamide (PubChem CID 974927) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenoxy)propanamide
PubChem CID974927
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclohexyl-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-14-7-9-15(10-8-14)20-12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyLGQRCJUPZSHCHK-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenoxy)propanamide (CID 974927) is N-cyclohexyl-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenoxy)propanamide?
The InChIKey is LGQRCJUPZSHCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-7-9-15(10-8-14)20-12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-3-(4-methoxyphenoxy)propanamide?
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).