2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide

C20H30N2O3 — CID 111758358

IUPAC2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)C(NC(C)=O)C1CCCC1
InChIInChI=1S/C20H30N2O3/c1-4-22(13-18(24)16-11-9-14(2)10-12-16)20(25)19(21-15(3)23)17-7-5-6-8-17/h9-12,17-19,24H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyOQSJSBBVXAIADS-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.57
Rot. Bonds7

About 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide

2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide (PubChem CID 111758358) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
PubChem CID111758358
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)C(NC(C)=O)C1CCCC1
InChIInChI=1S/C20H30N2O3/c1-4-22(13-18(24)16-11-9-14(2)10-12-16)20(25)19(21-15(3)23)17-7-5-6-8-17/h9-12,17-19,24H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyOQSJSBBVXAIADS-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide (CID 111758358) is 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide is CCN(CC(O)c1ccc(C)cc1)C(=O)C(NC(C)=O)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide?
The InChIKey is OQSJSBBVXAIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-22(13-18(24)16-11-9-14(2)10-12-16)20(25)19(21-15(3)23)17-7-5-6-8-17/h9-12,17-19,24H,4-8,13H2,1-3H3,(H,21,23).
What are the key properties of 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide?
2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 111758358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).