2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide

C22H24N2O3 — CID 166284084

IUPAC2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide
SMILESCc1ccc(C23CC2CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C3)cc1
InChIInChI=1S/C22H24N2O3/c1-15-2-6-17(7-3-15)22-11-18(22)13-24(14-22)21(27)12-23-20(26)10-16-4-8-19(25)9-5-16/h2-9,18,25H,10-14H2,1H3,(H,23,26)
InChIKeyJRYXDAGQDSWVAL-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide

2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide (PubChem CID 166284084) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide
PubChem CID166284084
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide
SMILESCc1ccc(C23CC2CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C3)cc1
InChIInChI=1S/C22H24N2O3/c1-15-2-6-17(7-3-15)22-11-18(22)13-24(14-22)21(27)12-23-20(26)10-16-4-8-19(25)9-5-16/h2-9,18,25H,10-14H2,1H3,(H,23,26)
InChIKeyJRYXDAGQDSWVAL-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide (CID 166284084) is 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide is Cc1ccc(C23CC2CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C3)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide?
The InChIKey is JRYXDAGQDSWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-2-6-17(7-3-15)22-11-18(22)13-24(14-22)21(27)12-23-20(26)10-16-4-8-19(25)9-5-16/h2-9,18,25H,10-14H2,1H3,(H,23,26).
What are the key properties of 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide?
2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[2-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 166284084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).