[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate

C24H32BrN3O3 — CID 166691590

IUPAC[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(NC(=O)Cc2cn(CC3CCCCC3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C24H32BrN3O3/c25-18-6-11-22-21(13-18)17(15-28(22)14-16-4-2-1-3-5-16)12-23(29)27-19-7-9-20(10-8-19)31-24(26)30/h6,11,13,15-16,19-20H,1-5,7-10,12,14H2,(H2,26,30)(H,27,29)
InChIKeySHYAUUIZWCYLFP-UHFFFAOYSA-N
MW490.44 g/mol
LogP5.05
Rot. Bonds6

About [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate

[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate (PubChem CID 166691590) has the molecular formula C24H32BrN3O3 and a molecular weight of 490.44 g/mol. Its IUPAC name is [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate
PubChem CID166691590
Molecular FormulaC24H32BrN3O3
Molecular Weight490.44 g/mol
Exact Mass489.16
IUPAC Name[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(NC(=O)Cc2cn(CC3CCCCC3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C24H32BrN3O3/c25-18-6-11-22-21(13-18)17(15-28(22)14-16-4-2-1-3-5-16)12-23(29)27-19-7-9-20(10-8-19)31-24(26)30/h6,11,13,15-16,19-20H,1-5,7-10,12,14H2,(H2,26,30)(H,27,29)
InChIKeySHYAUUIZWCYLFP-UHFFFAOYSA-N
XLogP5.05
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate 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

2-[5-bromo-1-[(4,4-difluorocyclohexyl)methyl]indol-3-yl]-N-piperidin-4-ylacetamide;hydrochloride
CID 161424713
[4-[[4-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]cyclohexyl]amino]cyclohexyl]carbamic acid
CID 166691502
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
CID 100820954
N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
CID 158440647
6-bromo-1-(cyclopropylmethyl)-3-iodoquinolin-4-one
CID 121229221
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate?
The IUPAC name of [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate (CID 166691590) is [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate is NC(=O)OC1CCC(NC(=O)Cc2cn(CC3CCCCC3)c3ccc(Br)cc23)CC1.
What is the InChIKey of [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate?
The InChIKey is SHYAUUIZWCYLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3O3/c25-18-6-11-22-21(13-18)17(15-28(22)14-16-4-2-1-3-5-16)12-23(29)27-19-7-9-20(10-8-19)31-24(26)30/h6,11,13,15-16,19-20H,1-5,7-10,12,14H2,(H2,26,30)(H,27,29).
What are the key properties of [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate?
[4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate has a molecular weight of 490.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]acetyl]amino]cyclohexyl] carbamate is sourced from PubChem (CID 166691590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).