N-[2-(1H-indol-3-yl)ethyl]tricosanamide

C33H56N2O — CID 10625101

IUPACN-[2-(1H-indol-3-yl)ethyl]tricosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)
InChIKeyXJUYJAIYKWBPLY-UHFFFAOYSA-N
MW496.82 g/mol
LogP10.04
Rot. Bonds24

About N-[2-(1H-indol-3-yl)ethyl]tricosanamide

N-[2-(1H-indol-3-yl)ethyl]tricosanamide (PubChem CID 10625101) has the molecular formula C33H56N2O and a molecular weight of 496.82 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]tricosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]tricosanamide
PubChem CID10625101
Molecular FormulaC33H56N2O
Molecular Weight496.82 g/mol
Exact Mass496.44
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]tricosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)
InChIKeyXJUYJAIYKWBPLY-UHFFFAOYSA-N
XLogP10.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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]tricosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]tricosanamide (CID 10625101) is N-[2-(1H-indol-3-yl)ethyl]tricosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]tricosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]tricosanamide is CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]tricosanamide?
The InChIKey is XJUYJAIYKWBPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]tricosanamide?
N-[2-(1H-indol-3-yl)ethyl]tricosanamide has a molecular weight of 496.82 g/mol, XLogP of 10.04, 24 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]tricosanamide is sourced from PubChem (CID 10625101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).