2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C21H27N3O2 — CID 73347328

IUPAC2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)16-6-9-18(10-7-16)26-15-20(25)23-17-8-11-19(22-14-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyTWBUGZGDNZDMNN-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 73347328) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID73347328
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)16-6-9-18(10-7-16)26-15-20(25)23-17-8-11-19(22-14-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyTWBUGZGDNZDMNN-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 73347328) is 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is TWBUGZGDNZDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)16-6-9-18(10-7-16)26-15-20(25)23-17-8-11-19(22-14-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 73347328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).