2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide

C23H38N2O2 — CID 24825785

IUPAC2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyTTYLBFYDVOFEBJ-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.04
Rot. Bonds7

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

2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide (PubChem CID 24825785) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide
PubChem CID24825785
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyTTYLBFYDVOFEBJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.04
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-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide (CID 24825785) is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1.
What is the InChIKey of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide?
The InChIKey is TTYLBFYDVOFEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide?
2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-(2-methylpropyl)acetamide has a molecular weight of 374.57 g/mol, XLogP of 4.04, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 24825785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).