N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide

C22H40N4O — CID 71519342

IUPACN-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H40N4O/c1-21(2,3)23-4-5-25-6-8-26(9-7-25)16-20(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-19,23H,4-16H2,1-3H3,(H,24,27)
InChIKeyTZRXNYBOOXBGNU-UHFFFAOYSA-N
MW376.59 g/mol
LogP2.08
Rot. Bonds6

About N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide

N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 71519342) has the molecular formula C22H40N4O and a molecular weight of 376.59 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID71519342
Molecular FormulaC22H40N4O
Molecular Weight376.59 g/mol
Exact Mass376.32
IUPAC NameN-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H40N4O/c1-21(2,3)23-4-5-25-6-8-26(9-7-25)16-20(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-19,23H,4-16H2,1-3H3,(H,24,27)
InChIKeyTZRXNYBOOXBGNU-UHFFFAOYSA-N
XLogP2.08
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide (CID 71519342) is N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide is CC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is TZRXNYBOOXBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O/c1-21(2,3)23-4-5-25-6-8-26(9-7-25)16-20(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-19,23H,4-16H2,1-3H3,(H,24,27).
What are the key properties of N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide?
N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 376.59 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).