4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C33H31N3O2 — CID 71451470

IUPAC4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H31N3O2/c37-33(34-20-19-25-23-35-30-12-4-1-9-27(25)30)24-15-17-26(18-16-24)38-22-8-7-21-36-31-13-5-2-10-28(31)29-11-3-6-14-32(29)36/h1-6,9-18,23,35H,7-8,19-22H2,(H,34,37)
InChIKeyBTALDSWITOMLAC-UHFFFAOYSA-N
MW501.63 g/mol
LogP7.11
Rot. Bonds10

About 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide

4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 71451470) has the molecular formula C33H31N3O2 and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID71451470
Molecular FormulaC33H31N3O2
Molecular Weight501.63 g/mol
Exact Mass501.24
IUPAC Name4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H31N3O2/c37-33(34-20-19-25-23-35-30-12-4-1-9-27(25)30)24-15-17-26(18-16-24)38-22-8-7-21-36-31-13-5-2-10-28(31)29-11-3-6-14-32(29)36/h1-6,9-18,23,35H,7-8,19-22H2,(H,34,37)
InChIKeyBTALDSWITOMLAC-UHFFFAOYSA-N
XLogP7.11
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 71451470) is 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is BTALDSWITOMLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O2/c37-33(34-20-19-25-23-35-30-12-4-1-9-27(25)30)24-15-17-26(18-16-24)38-22-8-7-21-36-31-13-5-2-10-28(31)29-11-3-6-14-32(29)36/h1-6,9-18,23,35H,7-8,19-22H2,(H,34,37).
What are the key properties of 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 501.63 g/mol, XLogP of 7.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylbutoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 71451470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).