1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol

C20H32N2O4 — CID 123702992

IUPAC1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol
SMILESCCc1c(CC)c(O)n(CCCCn2c(O)c(CC)c(CC)c2O)c1O
InChIInChI=1S/C20H32N2O4/c1-5-13-14(6-2)18(24)21(17(13)23)11-9-10-12-22-19(25)15(7-3)16(8-4)20(22)26/h23-26H,5-12H2,1-4H3
InChIKeyAHZZGFAFXCLYSW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.84
Rot. Bonds9

About 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol

1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol (PubChem CID 123702992) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol
PubChem CID123702992
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol
SMILESCCc1c(CC)c(O)n(CCCCn2c(O)c(CC)c(CC)c2O)c1O
InChIInChI=1S/C20H32N2O4/c1-5-13-14(6-2)18(24)21(17(13)23)11-9-10-12-22-19(25)15(7-3)16(8-4)20(22)26/h23-26H,5-12H2,1-4H3
InChIKeyAHZZGFAFXCLYSW-UHFFFAOYSA-N
XLogP3.84
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexylamino]hexyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53634025
2-Octadecyl-4,7-dihydroisoindole-1,3-diol
CID 53636654
2-(5-Aminopentyl)-4,7-dihydroisoindole-1,3-diol
CID 53881224
18-Methyl-18-azabicyclo[14.3.0]nonadeca-1(19),16-diene-17,19-diol
CID 53928667
3-Ethenyl-4-ethyl-1-methylpyrrole-2,5-diol
CID 54280382
2,4-Dimethyl-4,7-dihydroisoindole-1,3-diol
CID 54305305
2-Hexyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54359974
2-Methyl-4,7-dihydroisoindole-1,3-diol
CID 54430110
2-[6-(1,3-Dihydroxy-6-methyl-4,5-dihydroisoindol-2-yl)hexyl]-6-methyl-4,5-dihydroisoindole-1,3-diol
CID 54556478
2-Ethyl-4,7-dihydroisoindole-1,3-diol
CID 57043195
2-Pentyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57104896
2-[12-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)dodecyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57233560

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol?
The IUPAC name of 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol (CID 123702992) is 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol.
What is the SMILES notation for 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol?
The canonical SMILES for 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol is CCc1c(CC)c(O)n(CCCCn2c(O)c(CC)c(CC)c2O)c1O.
What is the InChIKey of 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol?
The InChIKey is AHZZGFAFXCLYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-5-13-14(6-2)18(24)21(17(13)23)11-9-10-12-22-19(25)15(7-3)16(8-4)20(22)26/h23-26H,5-12H2,1-4H3.
What are the key properties of 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol?
1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol has a molecular weight of 364.49 g/mol, XLogP of 3.84, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-diethyl-2,5-dihydroxypyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-diol is sourced from PubChem (CID 123702992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).