2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

C26H26N2O2 — CID 122183516

IUPAC2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3
InChIKeyXJVAZLBSDOGZAC-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.82
Rot. Bonds7

About 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (PubChem CID 122183516) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
PubChem CID122183516
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3
InChIKeyXJVAZLBSDOGZAC-UHFFFAOYSA-N
XLogP5.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (CID 122183516) is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The InChIKey is XJVAZLBSDOGZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide has a molecular weight of 398.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 122183516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).