2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide

C26H36N2O2 — CID 45268079

IUPAC2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1
InChIInChI=1S/C26H36N2O2/c29-23(27-17-18-6-2-1-3-7-18)15-26(8-4-5-9-26)16-24(30)28-25-21-11-19-10-20(13-21)14-22(25)12-19/h1-3,6-7,19-22,25H,4-5,8-17H2,(H,27,29)(H,28,30)
InChIKeyYMWWPAIAYIZKTA-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.58
Rot. Bonds7

About 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide

2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide (PubChem CID 45268079) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide
PubChem CID45268079
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1
InChIInChI=1S/C26H36N2O2/c29-23(27-17-18-6-2-1-3-7-18)15-26(8-4-5-9-26)16-24(30)28-25-21-11-19-10-20(13-21)14-22(25)12-19/h1-3,6-7,19-22,25H,4-5,8-17H2,(H,27,29)(H,28,30)
InChIKeyYMWWPAIAYIZKTA-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide?
The IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide (CID 45268079) is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide.
What is the SMILES notation for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide?
The canonical SMILES for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide is O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1.
What is the InChIKey of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide?
The InChIKey is YMWWPAIAYIZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c29-23(27-17-18-6-2-1-3-7-18)15-26(8-4-5-9-26)16-24(30)28-25-21-11-19-10-20(13-21)14-22(25)12-19/h1-3,6-7,19-22,25H,4-5,8-17H2,(H,27,29)(H,28,30).
What are the key properties of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide?
2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide has a molecular weight of 408.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-benzylacetamide is sourced from PubChem (CID 45268079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).