2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide

C28H39N3O2 — CID 90266735

IUPAC2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(C2C[C@H]3CCC[C@@H](C2)N3C2CCCCCCCCC2)c2ccccc12
InChIInChI=1S/C28H39N3O2/c29-28(33)27(32)25-19-30(26-16-9-8-15-24(25)26)23-17-21-13-10-14-22(18-23)31(21)20-11-6-4-2-1-3-5-7-12-20/h8-9,15-16,19-23H,1-7,10-14,17-18H2,(H2,29,33)/t21-,22+,23?
InChIKeyDBEASXICYRCEJG-AIZNXBIQSA-N
MW449.64 g/mol
LogP5.76
Rot. Bonds4

About 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide

2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide (PubChem CID 90266735) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide
PubChem CID90266735
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(C2C[C@H]3CCC[C@@H](C2)N3C2CCCCCCCCC2)c2ccccc12
InChIInChI=1S/C28H39N3O2/c29-28(33)27(32)25-19-30(26-16-9-8-15-24(25)26)23-17-21-13-10-14-22(18-23)31(21)20-11-6-4-2-1-3-5-7-12-20/h8-9,15-16,19-23H,1-7,10-14,17-18H2,(H2,29,33)/t21-,22+,23?
InChIKeyDBEASXICYRCEJG-AIZNXBIQSA-N
XLogP5.76
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-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

ethane;methyl 2-[1-(9-cyclodecyl-6-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol-3-yl]-2-oxoacetate
CID 144657401
1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
2-[1-[(6R,9S)-7-cyclodecyl-7-azabicyclo[4.2.2]decan-9-yl]indol-3-yl]-2-oxoacetic acid
CID 134482114
1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
CID 67859526
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
(2-iodophenyl)-[1-[(3R)-1-methylazepan-3-yl]indol-3-yl]methanone
CID 124518631
2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid
CID 115115319
ethyl 4-(9-cyclononyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxaline-2-carboxylate
CID 66819528
1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 140797945
1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
CID 113341476
(1S,5R)-9-cyclodecyl-7-indol-1-yl-3-oxa-9-azabicyclo[3.3.1]nonane
CID 90266733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide (CID 90266735) is 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(C2C[C@H]3CCC[C@@H](C2)N3C2CCCCCCCCC2)c2ccccc12.
What is the InChIKey of 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide?
The InChIKey is DBEASXICYRCEJG-AIZNXBIQSA-N. The full InChI is InChI=1S/C28H39N3O2/c29-28(33)27(32)25-19-30(26-16-9-8-15-24(25)26)23-17-21-13-10-14-22(18-23)31(21)20-11-6-4-2-1-3-5-7-12-20/h8-9,15-16,19-23H,1-7,10-14,17-18H2,(H2,29,33)/t21-,22+,23?.
What are the key properties of 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide?
2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide has a molecular weight of 449.64 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 90266735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).