N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide

C26H36N2O3 — CID 24947418

IUPACN-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide
SMILESCOc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHARYENMNTXZURV-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.92
Rot. Bonds7

About N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide

N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 24947418) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide
PubChem CID24947418
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide
SMILESCOc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHARYENMNTXZURV-UHFFFAOYSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide (CID 24947418) is N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide is COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1.
What is the InChIKey of N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is HARYENMNTXZURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide?
N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[1-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 24947418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).