N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide

C29H35N3O3 — CID 46853649

IUPACN-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCC)cc3)nc2CC2CCCCC2)cc1
InChIInChI=1S/C29H35N3O3/c1-3-34-24-14-10-22(11-15-24)19-28(33)32-29-26(18-21-8-6-5-7-9-21)31-27(20-30-29)23-12-16-25(17-13-23)35-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3,(H,30,32,33)
InChIKeyQFMLAMTVKXKDCU-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.24
Rot. Bonds10

About N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide

N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 46853649) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
PubChem CID46853649
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCC)cc3)nc2CC2CCCCC2)cc1
InChIInChI=1S/C29H35N3O3/c1-3-34-24-14-10-22(11-15-24)19-28(33)32-29-26(18-21-8-6-5-7-9-21)31-27(20-30-29)23-12-16-25(17-13-23)35-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3,(H,30,32,33)
InChIKeyQFMLAMTVKXKDCU-UHFFFAOYSA-N
XLogP6.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide (CID 46853649) is N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCC)cc3)nc2CC2CCCCC2)cc1.
What is the InChIKey of N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is QFMLAMTVKXKDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-3-34-24-14-10-22(11-15-24)19-28(33)32-29-26(18-21-8-6-5-7-9-21)31-27(20-30-29)23-12-16-25(17-13-23)35-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3,(H,30,32,33).
What are the key properties of N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 473.62 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 46853649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).