2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide

C22H34IN5O — CID 111341858

IUPAC2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCNC(=O)CC1CCCC1.I
InChIInChI=1S/C22H33N5O.HI/c1-23-22(26-14-13-24-21(28)17-18-7-2-3-8-18)25-12-6-15-27-16-11-19-9-4-5-10-20(19)27;/h4-5,9-11,16,18H,2-3,6-8,12-15,17H2,1H3,(H,24,28)(H2,23,25,26);1H
InChIKeyDYYQBEQZMHBIES-UHFFFAOYSA-N
MW511.45 g/mol
LogP3.51
Rot. Bonds9

About 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide

2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 111341858) has the molecular formula C22H34IN5O and a molecular weight of 511.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID111341858
Molecular FormulaC22H34IN5O
Molecular Weight511.45 g/mol
Exact Mass511.18
IUPAC Name2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCNC(=O)CC1CCCC1.I
InChIInChI=1S/C22H33N5O.HI/c1-23-22(26-14-13-24-21(28)17-18-7-2-3-8-18)25-12-6-15-27-16-11-19-9-4-5-10-20(19)27;/h4-5,9-11,16,18H,2-3,6-8,12-15,17H2,1H3,(H,24,28)(H2,23,25,26);1H
InChIKeyDYYQBEQZMHBIES-UHFFFAOYSA-N
XLogP3.51
TPSA70.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide 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

N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
tert-butyl N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111341670
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111785300
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528
methyl 3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111341359
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341790
ethyl 4-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111341048
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
N-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111324449

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 111341858) is 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide is C/N=C(/NCCCn1ccc2ccccc21)NCCNC(=O)CC1CCCC1.I.
What is the InChIKey of 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is DYYQBEQZMHBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O.HI/c1-23-22(26-14-13-24-21(28)17-18-7-2-3-8-18)25-12-6-15-27-16-11-19-9-4-5-10-20(19)27;/h4-5,9-11,16,18H,2-3,6-8,12-15,17H2,1H3,(H,24,28)(H2,23,25,26);1H.
What are the key properties of 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide?
2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 511.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 111341858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).