2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide

C18H26N2O3 — CID 111485127

IUPAC2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)C(C)Oc1cccc(C#N)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)8-9-18(4,22)12-20-17(21)14(3)23-16-7-5-6-15(10-16)11-19/h5-7,10,13-14,22H,8-9,12H2,1-4H3,(H,20,21)
InChIKeyFGTPIMSPDVRJBS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.63
Rot. Bonds8

About 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide

2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide (PubChem CID 111485127) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
PubChem CID111485127
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)C(C)Oc1cccc(C#N)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)8-9-18(4,22)12-20-17(21)14(3)23-16-7-5-6-15(10-16)11-19/h5-7,10,13-14,22H,8-9,12H2,1-4H3,(H,20,21)
InChIKeyFGTPIMSPDVRJBS-UHFFFAOYSA-N
XLogP2.63
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide (CID 111485127) is 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide is CC(C)CCC(C)(O)CNC(=O)C(C)Oc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The InChIKey is FGTPIMSPDVRJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)8-9-18(4,22)12-20-17(21)14(3)23-16-7-5-6-15(10-16)11-19/h5-7,10,13-14,22H,8-9,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide is sourced from PubChem (CID 111485127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).