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

C34H30N2O4 — CID 71456800

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCOc2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C34H30N2O4/c37-33-30-9-2-1-8-28(30)29-16-15-26(21-31(29)33)40-20-6-5-19-39-25-13-11-23(12-14-25)34(38)35-18-17-24-22-36-32-10-4-3-7-27(24)32/h1-4,7-16,21-22,36H,5-6,17-20H2,(H,35,38)
InChIKeyOPOSYRURVHPJOD-UHFFFAOYSA-N
MW530.62 g/mol
LogP6.59
Rot. Bonds11

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

N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide (PubChem CID 71456800) has the molecular formula C34H30N2O4 and a molecular weight of 530.62 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide
PubChem CID71456800
Molecular FormulaC34H30N2O4
Molecular Weight530.62 g/mol
Exact Mass530.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCOc2ccc3c(c2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C34H30N2O4/c37-33-30-9-2-1-8-28(30)29-16-15-26(21-31(29)33)40-20-6-5-19-39-25-13-11-23(12-14-25)34(38)35-18-17-24-22-36-32-10-4-3-7-27(24)32/h1-4,7-16,21-22,36H,5-6,17-20H2,(H,35,38)
InChIKeyOPOSYRURVHPJOD-UHFFFAOYSA-N
XLogP6.59
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide (CID 71456800) is N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCOc2ccc3c(c2)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide?
The InChIKey is OPOSYRURVHPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O4/c37-33-30-9-2-1-8-28(30)29-16-15-26(21-31(29)33)40-20-6-5-19-39-25-13-11-23(12-14-25)34(38)35-18-17-24-22-36-32-10-4-3-7-27(24)32/h1-4,7-16,21-22,36H,5-6,17-20H2,(H,35,38).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide has a molecular weight of 530.62 g/mol, XLogP of 6.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-[4-(9-oxofluoren-2-yl)oxybutoxy]benzamide is sourced from PubChem (CID 71456800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).