2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide

C25H34N2O3 — CID 71449550

IUPAC2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1
InChIInChI=1S/C25H34N2O3/c1-4-29-24-12-8-6-10-22(24)25(28)26-20-13-15-27(16-14-20)17-18-30-23-11-7-5-9-21(23)19(2)3/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
InChIKeyNEALQIVMJKROLE-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.48
Rot. Bonds9

About 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide

2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide (PubChem CID 71449550) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide
PubChem CID71449550
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1
InChIInChI=1S/C25H34N2O3/c1-4-29-24-12-8-6-10-22(24)25(28)26-20-13-15-27(16-14-20)17-18-30-23-11-7-5-9-21(23)19(2)3/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
InChIKeyNEALQIVMJKROLE-UHFFFAOYSA-N
XLogP4.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide (CID 71449550) is 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide?
The InChIKey is NEALQIVMJKROLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-29-24-12-8-6-10-22(24)25(28)26-20-13-15-27(16-14-20)17-18-30-23-11-7-5-9-21(23)19(2)3/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28).
What are the key properties of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide?
2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide has a molecular weight of 410.56 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71449550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).