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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Related Compounds

3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
CID 100919842
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
CID 47126836
(1R,2R,4R)-N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124859670
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119334134
1-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334139
2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315315
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248

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).