2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide

C25H27N3O3 — CID 43957368

IUPAC2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-26(19-11-5-4-6-12-19)25(31)24(30)21-17-28(22-14-8-7-13-20(21)22)18-23(29)27-15-9-2-3-10-16-27/h4-8,11-14,17H,2-3,9-10,15-16,18H2,1H3
InChIKeyHKWZPTVQLGPUCN-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 43957368) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
PubChem CID43957368
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-26(19-11-5-4-6-12-19)25(31)24(30)21-17-28(22-14-8-7-13-20(21)22)18-23(29)27-15-9-2-3-10-16-27/h4-8,11-14,17H,2-3,9-10,15-16,18H2,1H3
InChIKeyHKWZPTVQLGPUCN-UHFFFAOYSA-N
XLogP3.89
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
N,N-dibutyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506563
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642
N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 41429622
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506565
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide (CID 43957368) is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide is CN(C(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is HKWZPTVQLGPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-26(19-11-5-4-6-12-19)25(31)24(30)21-17-28(22-14-8-7-13-20(21)22)18-23(29)27-15-9-2-3-10-16-27/h4-8,11-14,17H,2-3,9-10,15-16,18H2,1H3.
What are the key properties of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide?
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 417.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 43957368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).