5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol

C26H30N2O4 — CID 72710956

IUPAC5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
SMILESCOc1ccccc1OCCNCC(O)CCCOc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C26H30N2O4/c1-30-25-10-4-5-11-26(25)32-16-14-27-18-19(29)7-6-15-31-20-12-13-24-22(17-20)21-8-2-3-9-23(21)28-24/h2-5,8-13,17,19,27-29H,6-7,14-16,18H2,1H3
InChIKeyDTPPMVUMIALFQL-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.52
Rot. Bonds12

About 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol

5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol (PubChem CID 72710956) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
PubChem CID72710956
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
SMILESCOc1ccccc1OCCNCC(O)CCCOc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C26H30N2O4/c1-30-25-10-4-5-11-26(25)32-16-14-27-18-19(29)7-6-15-31-20-12-13-24-22(17-20)21-8-2-3-9-23(21)28-24/h2-5,8-13,17,19,27-29H,6-7,14-16,18H2,1H3
InChIKeyDTPPMVUMIALFQL-UHFFFAOYSA-N
XLogP4.52
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The IUPAC name of 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol (CID 72710956) is 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol.
What is the SMILES notation for 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The canonical SMILES for 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol is COc1ccccc1OCCNCC(O)CCCOc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The InChIKey is DTPPMVUMIALFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-30-25-10-4-5-11-26(25)32-16-14-27-18-19(29)7-6-15-31-20-12-13-24-22(17-20)21-8-2-3-9-23(21)28-24/h2-5,8-13,17,19,27-29H,6-7,14-16,18H2,1H3.
What are the key properties of 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol has a molecular weight of 434.54 g/mol, XLogP of 4.52, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-3-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol is sourced from PubChem (CID 72710956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).