2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C18H30IN5O3 — CID 111725936

IUPAC2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H29N5O3.HI/c1-2-19-18(21-13-17(24)20-12-16-4-3-9-26-16)23-6-5-15(14-23)22-7-10-25-11-8-22;/h3-4,9,15H,2,5-8,10-14H2,1H3,(H,19,21)(H,20,24);1H
InChIKeyZZUSVWFZCPXIIG-UHFFFAOYSA-N
MW491.37 g/mol
LogP0.89
Rot. Bonds6

About 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111725936) has the molecular formula C18H30IN5O3 and a molecular weight of 491.37 g/mol. Its IUPAC name is 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111725936
Molecular FormulaC18H30IN5O3
Molecular Weight491.37 g/mol
Exact Mass491.14
IUPAC Name2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H29N5O3.HI/c1-2-19-18(21-13-17(24)20-12-16-4-3-9-26-16)23-6-5-15(14-23)22-7-10-25-11-8-22;/h3-4,9,15H,2,5-8,10-14H2,1H3,(H,19,21)(H,20,24);1H
InChIKeyZZUSVWFZCPXIIG-UHFFFAOYSA-N
XLogP0.89
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
CID 111726933
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111726067
N-[2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111726482
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111727310
2-[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111740686
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111152520
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111728018
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239
2-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 109489364
N-ethyl-3-morpholin-4-yl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728740
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726127
N-ethyl-3-morpholin-4-yl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726854

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111725936) is 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCc1ccco1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is ZZUSVWFZCPXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3.HI/c1-2-19-18(21-13-17(24)20-12-16-4-3-9-26-16)23-6-5-15(14-23)22-7-10-25-11-8-22;/h3-4,9,15H,2,5-8,10-14H2,1H3,(H,19,21)(H,20,24);1H.
What are the key properties of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 491.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111725936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).