N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide

C30H37N3O3 — CID 46853671

IUPACN-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2CC2CCCC2)cc1
InChIInChI=1S/C30H37N3O3/c1-20(2)35-25-13-9-23(10-14-25)18-29(34)33-30-27(17-22-7-5-6-8-22)32-28(19-31-30)24-11-15-26(16-12-24)36-21(3)4/h9-16,19-22H,5-8,17-18H2,1-4H3,(H,31,33,34)
InChIKeyLNLFWRUPVFYWCW-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.63
Rot. Bonds10

About N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide

N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 46853671) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID46853671
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2CC2CCCC2)cc1
InChIInChI=1S/C30H37N3O3/c1-20(2)35-25-13-9-23(10-14-25)18-29(34)33-30-27(17-22-7-5-6-8-22)32-28(19-31-30)24-11-15-26(16-12-24)36-21(3)4/h9-16,19-22H,5-8,17-18H2,1-4H3,(H,31,33,34)
InChIKeyLNLFWRUPVFYWCW-UHFFFAOYSA-N
XLogP6.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 46853671) is N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(CC(=O)Nc2ncc(-c3ccc(OC(C)C)cc3)nc2CC2CCCC2)cc1.
What is the InChIKey of N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is LNLFWRUPVFYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-20(2)35-25-13-9-23(10-14-25)18-29(34)33-30-27(17-22-7-5-6-8-22)32-28(19-31-30)24-11-15-26(16-12-24)36-21(3)4/h9-16,19-22H,5-8,17-18H2,1-4H3,(H,31,33,34).
What are the key properties of N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
N-[3-(cyclopentylmethyl)-5-(4-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 487.64 g/mol, XLogP of 6.63, 10 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-propan-2-yloxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 46853671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).