2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol

C24H30N2O4 — CID 160937498

IUPAC2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol
SMILESCCN1CCc2c1ccc(C1C(O)C(c3ccc4c(c3O)CCN4CC)C1O)c2O
InChIInChI=1S/C24H30N2O4/c1-3-25-11-9-13-17(25)7-5-15(21(13)27)19-23(29)20(24(19)30)16-6-8-18-14(22(16)28)10-12-26(18)4-2/h5-8,19-20,23-24,27-30H,3-4,9-12H2,1-2H3
InChIKeyXXRRIIXDKDYYIZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.47
Rot. Bonds4

About 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol

2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol (PubChem CID 160937498) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol
PubChem CID160937498
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol
SMILESCCN1CCc2c1ccc(C1C(O)C(c3ccc4c(c3O)CCN4CC)C1O)c2O
InChIInChI=1S/C24H30N2O4/c1-3-25-11-9-13-17(25)7-5-15(21(13)27)19-23(29)20(24(19)30)16-6-8-18-14(22(16)28)10-12-26(18)4-2/h5-8,19-20,23-24,27-30H,3-4,9-12H2,1-2H3
InChIKeyXXRRIIXDKDYYIZ-UHFFFAOYSA-N
XLogP2.47
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol?
The IUPAC name of 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol (CID 160937498) is 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol is CCN1CCc2c1ccc(C1C(O)C(c3ccc4c(c3O)CCN4CC)C1O)c2O.
What is the InChIKey of 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol?
The InChIKey is XXRRIIXDKDYYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-25-11-9-13-17(25)7-5-15(21(13)27)19-23(29)20(24(19)30)16-6-8-18-14(22(16)28)10-12-26(18)4-2/h5-8,19-20,23-24,27-30H,3-4,9-12H2,1-2H3.
What are the key properties of 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol?
2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol has a molecular weight of 410.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-ethyl-4-hydroxy-2,3-dihydroindol-5-yl)cyclobutane-1,3-diol is sourced from PubChem (CID 160937498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).