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

C35H60N2O — CID 10792189

IUPACN-[2-(1H-indol-3-yl)ethyl]pentacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)
InChIKeyCMFSUURRQYFHDN-UHFFFAOYSA-N
MW524.88 g/mol
LogP10.82
Rot. Bonds26

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

N-[2-(1H-indol-3-yl)ethyl]pentacosanamide (PubChem CID 10792189) has the molecular formula C35H60N2O and a molecular weight of 524.88 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]pentacosanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]pentacosanamide
PubChem CID10792189
Molecular FormulaC35H60N2O
Molecular Weight524.88 g/mol
Exact Mass524.47
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]pentacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)
InChIKeyCMFSUURRQYFHDN-UHFFFAOYSA-N
XLogP10.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 510.82
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]pentacosanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]pentacosanamide (CID 10792189) is N-[2-(1H-indol-3-yl)ethyl]pentacosanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]pentacosanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]pentacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]pentacosanamide?
The InChIKey is CMFSUURRQYFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]pentacosanamide?
N-[2-(1H-indol-3-yl)ethyl]pentacosanamide has a molecular weight of 524.88 g/mol, XLogP of 10.82, 26 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]pentacosanamide is sourced from PubChem (CID 10792189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).