2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid

C29H32N2O5 — CID 69423408

IUPAC2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid
SMILESO=C(O)C(OCCCCCOc1cccc(N2CCOCC2)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H32N2O5/c32-29(33)28(31-26-13-4-2-11-24(26)25-12-3-5-14-27(25)31)36-18-7-1-6-17-35-23-10-8-9-22(21-23)30-15-19-34-20-16-30/h2-5,8-14,21,28H,1,6-7,15-20H2,(H,32,33)
InChIKeyXXZRCJIKCUSWKU-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.48
Rot. Bonds11

About 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid

2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid (PubChem CID 69423408) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid.

Molecular Properties

Compound Name2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid
PubChem CID69423408
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid
SMILESO=C(O)C(OCCCCCOc1cccc(N2CCOCC2)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H32N2O5/c32-29(33)28(31-26-13-4-2-11-24(26)25-12-3-5-14-27(25)31)36-18-7-1-6-17-35-23-10-8-9-22(21-23)30-15-19-34-20-16-30/h2-5,8-14,21,28H,1,6-7,15-20H2,(H,32,33)
InChIKeyXXZRCJIKCUSWKU-UHFFFAOYSA-N
XLogP5.48
TPSA73.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid?
The IUPAC name of 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid (CID 69423408) is 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid.
What is the SMILES notation for 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid?
The canonical SMILES for 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid is O=C(O)C(OCCCCCOc1cccc(N2CCOCC2)c1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid?
The InChIKey is XXZRCJIKCUSWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c32-29(33)28(31-26-13-4-2-11-24(26)25-12-3-5-14-27(25)31)36-18-7-1-6-17-35-23-10-8-9-22(21-23)30-15-19-34-20-16-30/h2-5,8-14,21,28H,1,6-7,15-20H2,(H,32,33).
What are the key properties of 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid?
2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid has a molecular weight of 488.58 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid is sourced from PubChem (CID 69423408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).