[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate

C26H36N2O6 — CID 55562015

IUPAC[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCc1cccc(COC(=O)C(NC(C)=O)C2CCCC2)c1)C1CCCC1
InChIInChI=1S/C26H36N2O6/c1-17(29)27-23(21-10-3-4-11-21)25(31)33-15-19-8-7-9-20(14-19)16-34-26(32)24(28-18(2)30)22-12-5-6-13-22/h7-9,14,21-24H,3-6,10-13,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPUPQUGIBSOTLMJ-UHFFFAOYSA-N
MW472.58 g/mol
LogP3.16
Rot. Bonds10

About [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate

[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate (PubChem CID 55562015) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate.

Molecular Properties

Compound Name[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
PubChem CID55562015
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC Name[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCc1cccc(COC(=O)C(NC(C)=O)C2CCCC2)c1)C1CCCC1
InChIInChI=1S/C26H36N2O6/c1-17(29)27-23(21-10-3-4-11-21)25(31)33-15-19-8-7-9-20(14-19)16-34-26(32)24(28-18(2)30)22-12-5-6-13-22/h7-9,14,21-24H,3-6,10-13,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPUPQUGIBSOTLMJ-UHFFFAOYSA-N
XLogP3.16
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate with MolForge

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Related Compounds

benzyl (2S)-2-acetamido-2-cyclopentylacetate
CID 155326038
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275
2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
CID 47126836
methyl 4-[2-(2-acetamido-2-cyclopentylacetyl)hydrazinyl]-2-benzyl-4-oxobutanoate
CID 67140444
ethyl 6-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55528706
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
CID 119547727
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
CID 97099193
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680452

Frequently Asked Questions

What is the IUPAC name of [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate?
The IUPAC name of [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate (CID 55562015) is [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate.
What is the SMILES notation for [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate?
The canonical SMILES for [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate is CC(=O)NC(C(=O)OCc1cccc(COC(=O)C(NC(C)=O)C2CCCC2)c1)C1CCCC1.
What is the InChIKey of [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate?
The InChIKey is PUPQUGIBSOTLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-17(29)27-23(21-10-3-4-11-21)25(31)33-15-19-8-7-9-20(14-19)16-34-26(32)24(28-18(2)30)22-12-5-6-13-22/h7-9,14,21-24H,3-6,10-13,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate?
[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate has a molecular weight of 472.58 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate is sourced from PubChem (CID 55562015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).