2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

C19H36IN5O2 — CID 111929718

IUPAC2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCNC(=O)CC1CCCCC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-2-20-19(23-15-18(26)24-12-6-7-13-24)22-11-10-21-17(25)14-16-8-4-3-5-9-16;/h16H,2-15H2,1H3,(H,21,25)(H2,20,22,23);1H
InChIKeySXZDUORPZJAAHI-UHFFFAOYSA-N
MW493.43 g/mol
LogP1.87
Rot. Bonds8

About 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 111929718) has the molecular formula C19H36IN5O2 and a molecular weight of 493.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID111929718
Molecular FormulaC19H36IN5O2
Molecular Weight493.43 g/mol
Exact Mass493.19
IUPAC Name2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCNC(=O)CC1CCCCC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-2-20-19(23-15-18(26)24-12-6-7-13-24)22-11-10-21-17(25)14-16-8-4-3-5-9-16;/h16H,2-15H2,1H3,(H,21,25)(H2,20,22,23);1H
InChIKeySXZDUORPZJAAHI-UHFFFAOYSA-N
XLogP1.87
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 51.87
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'}

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Related Compounds

1-(2-cyclohexylethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
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1-(4-cyclopentylbutyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111608690
N-[2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-cyclohexylacetamide;hydroiodide
CID 111385537
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111179117
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111568116
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
1-ethyl-3-(3-methylbutyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110977508
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
CID 111150491
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
CID 110956101

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 111929718) is 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is CCN/C(=N\CC(=O)N1CCCC1)NCCNC(=O)CC1CCCCC1.I.
What is the InChIKey of 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is SXZDUORPZJAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2.HI/c1-2-20-19(23-15-18(26)24-12-6-7-13-24)22-11-10-21-17(25)14-16-8-4-3-5-9-16;/h16H,2-15H2,1H3,(H,21,25)(H2,20,22,23);1H.
What are the key properties of 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 493.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 111929718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).