N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

C25H30N2O2 — CID 50994131

IUPACN,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3
InChIKeyOXEHPUVTSXWYIV-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.46
Rot. Bonds9

About N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (PubChem CID 50994131) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
PubChem CID50994131
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3
InChIKeyOXEHPUVTSXWYIV-UHFFFAOYSA-N
XLogP5.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 015
CID 4273754
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
Jwh-007
CID 10360860
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
5-Fluoro CUMYL-PICA
CID 117650397
Rhetsinine
CID 99652
1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (CID 50994131) is N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The InChIKey is OXEHPUVTSXWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide has a molecular weight of 390.53 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 50994131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).