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

C33H35N3O3 — CID 59510395

IUPACN-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCc4ccccc4)cc3)nc2CC2CCCC2)cc1
InChIInChI=1S/C33H35N3O3/c1-2-38-28-16-12-25(13-17-28)21-32(37)36-33-30(20-24-8-6-7-9-24)35-31(22-34-33)27-14-18-29(19-15-27)39-23-26-10-4-3-5-11-26/h3-5,10-19,22,24H,2,6-9,20-21,23H2,1H3,(H,34,36,37)
InChIKeyNMHBUEFTRIUGHV-UHFFFAOYSA-N
MW521.66 g/mol
LogP7.04
Rot. Bonds11

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

N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 59510395) has the molecular formula C33H35N3O3 and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
PubChem CID59510395
Molecular FormulaC33H35N3O3
Molecular Weight521.66 g/mol
Exact Mass521.27
IUPAC NameN-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCc4ccccc4)cc3)nc2CC2CCCC2)cc1
InChIInChI=1S/C33H35N3O3/c1-2-38-28-16-12-25(13-17-28)21-32(37)36-33-30(20-24-8-6-7-9-24)35-31(22-34-33)27-14-18-29(19-15-27)39-23-26-10-4-3-5-11-26/h3-5,10-19,22,24H,2,6-9,20-21,23H2,1H3,(H,34,36,37)
InChIKeyNMHBUEFTRIUGHV-UHFFFAOYSA-N
XLogP7.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
1-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-3-(4-propan-2-yloxyphenyl)propan-2-one
CID 58567171
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590
N-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123244301

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide (CID 59510395) is N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2ncc(-c3ccc(OCc4ccccc4)cc3)nc2CC2CCCC2)cc1.
What is the InChIKey of N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is NMHBUEFTRIUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3/c1-2-38-28-16-12-25(13-17-28)21-32(37)36-33-30(20-24-8-6-7-9-24)35-31(22-34-33)27-14-18-29(19-15-27)39-23-26-10-4-3-5-11-26/h3-5,10-19,22,24H,2,6-9,20-21,23H2,1H3,(H,34,36,37).
What are the key properties of N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide?
N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 521.66 g/mol, XLogP of 7.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 59510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).