2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide

C22H24N3O2P — CID 143000180

IUPAC2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
SMILESCC(C)Cc1nc(-c2ccc(P)cc2)cnc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C22H24N3O2P/c1-14(2)11-19-22(25-21(27)12-15-3-7-17(26)8-4-15)23-13-20(24-19)16-5-9-18(28)10-6-16/h3-10,13-14,26H,11-12,28H2,1-2H3,(H,23,25,27)
InChIKeyBRMTZRMPPANFGF-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide

2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide (PubChem CID 143000180) has the molecular formula C22H24N3O2P and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
PubChem CID143000180
Molecular FormulaC22H24N3O2P
Molecular Weight393.43 g/mol
Exact Mass393.16
IUPAC Name2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
SMILESCC(C)Cc1nc(-c2ccc(P)cc2)cnc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C22H24N3O2P/c1-14(2)11-19-22(25-21(27)12-15-3-7-17(26)8-4-15)23-13-20(24-19)16-5-9-18(28)10-6-16/h3-10,13-14,26H,11-12,28H2,1-2H3,(H,23,25,27)
InChIKeyBRMTZRMPPANFGF-UHFFFAOYSA-N
XLogP3.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
CID 136624968
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830199
N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000514
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625233

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide (CID 143000180) is 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide is CC(C)Cc1nc(-c2ccc(P)cc2)cnc1NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide?
The InChIKey is BRMTZRMPPANFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3O2P/c1-14(2)11-19-22(25-21(27)12-15-3-7-17(26)8-4-15)23-13-20(24-19)16-5-9-18(28)10-6-16/h3-10,13-14,26H,11-12,28H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide?
2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 143000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).