2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide

C20H30N2O3 — CID 110160275

IUPAC2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide
SMILESCC(C)(C)c1ccc(OCC(N)=O)c(CN2C[C@H]3CC(O)C[C@H]3C2)c1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-4-5-18(25-12-19(21)24)15(6-16)11-22-9-13-7-17(23)8-14(13)10-22/h4-6,13-14,17,23H,7-12H2,1-3H3,(H2,21,24)/t13-,14+,17?
InChIKeySHQGJJIIYFADFE-VMZNBEPHSA-N
MW346.47 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide

2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide (PubChem CID 110160275) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide
PubChem CID110160275
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide
SMILESCC(C)(C)c1ccc(OCC(N)=O)c(CN2C[C@H]3CC(O)C[C@H]3C2)c1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-4-5-18(25-12-19(21)24)15(6-16)11-22-9-13-7-17(23)8-14(13)10-22/h4-6,13-14,17,23H,7-12H2,1-3H3,(H2,21,24)/t13-,14+,17?
InChIKeySHQGJJIIYFADFE-VMZNBEPHSA-N
XLogP2.05
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide?
The IUPAC name of 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide (CID 110160275) is 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide?
The canonical SMILES for 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide is CC(C)(C)c1ccc(OCC(N)=O)c(CN2C[C@H]3CC(O)C[C@H]3C2)c1.
What is the InChIKey of 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide?
The InChIKey is SHQGJJIIYFADFE-VMZNBEPHSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)16-4-5-18(25-12-19(21)24)15(6-16)11-22-9-13-7-17(23)8-14(13)10-22/h4-6,13-14,17,23H,7-12H2,1-3H3,(H2,21,24)/t13-,14+,17?.
What are the key properties of 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide?
2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]-4-tert-butylphenoxy]acetamide is sourced from PubChem (CID 110160275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).