N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

C25H24N2O2 — CID 122183519

IUPACN-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3
InChIKeyFTNGVOLGHCUBDH-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.43
Rot. Bonds6

About N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183519) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID122183519
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3
InChIKeyFTNGVOLGHCUBDH-UHFFFAOYSA-N
XLogP5.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183519) is N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is CCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is FTNGVOLGHCUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 384.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).