2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide

C25H34N4O3 — CID 16808144

IUPAC2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide
SMILESCCN1CCCC1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C25H34N4O3/c1-2-27-15-9-10-19(27)16-26-25(32)24(31)21-17-29(22-12-6-5-11-20(21)22)18-23(30)28-13-7-3-4-8-14-28/h5-6,11-12,17,19H,2-4,7-10,13-16,18H2,1H3,(H,26,32)
InChIKeyOMNPSGBVRINLBZ-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.83
Rot. Bonds7

About 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide (PubChem CID 16808144) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide
PubChem CID16808144
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide
SMILESCCN1CCCC1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C25H34N4O3/c1-2-27-15-9-10-19(27)16-26-25(32)24(31)21-17-29(22-12-6-5-11-20(21)22)18-23(30)28-13-7-3-4-8-14-28/h5-6,11-12,17,19H,2-4,7-10,13-16,18H2,1H3,(H,26,32)
InChIKeyOMNPSGBVRINLBZ-UHFFFAOYSA-N
XLogP2.83
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162399
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxoacetamide
CID 41106474
N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 18562402
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808104
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide (CID 16808144) is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide is CCN1CCCC1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12.
What is the InChIKey of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide?
The InChIKey is OMNPSGBVRINLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-2-27-15-9-10-19(27)16-26-25(32)24(31)21-17-29(22-12-6-5-11-20(21)22)18-23(30)28-13-7-3-4-8-14-28/h5-6,11-12,17,19H,2-4,7-10,13-16,18H2,1H3,(H,26,32).
What are the key properties of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide?
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide has a molecular weight of 438.57 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide is sourced from PubChem (CID 16808144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).