N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide

C26H26N2O2 — CID 122183520

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

About N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide

N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide (PubChem CID 122183520) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide
PubChem CID122183520
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide
SMILESCCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3
InChIKeyQYVXQRCNMDJGLL-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?
The IUPAC name of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide (CID 122183520) is N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide.
What is the SMILES notation for N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?
The canonical SMILES for N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide is CCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?
The InChIKey is QYVXQRCNMDJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3.
What are the key properties of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?
N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide 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 N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide is sourced from PubChem (CID 122183520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).