2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H30IN5O2 — CID 110035158

IUPAC2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1.I
InChIInChI=1S/C19H29N5O2.HI/c1-5-20-19(22-13-17(26)23(2)3)21-12-15-11-16(25)24(4)18(15)14-9-7-6-8-10-14;/h6-10,15,18H,5,11-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyGVKUOFPGZGDIED-UHFFFAOYSA-N
MW487.39 g/mol
LogP1.47
Rot. Bonds6

About 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110035158) has the molecular formula C19H30IN5O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110035158
Molecular FormulaC19H30IN5O2
Molecular Weight487.39 g/mol
Exact Mass487.14
IUPAC Name2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1.I
InChIInChI=1S/C19H29N5O2.HI/c1-5-20-19(22-13-17(26)23(2)3)21-12-15-11-16(25)24(4)18(15)14-9-7-6-8-10-14;/h6-10,15,18H,5,11-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyGVKUOFPGZGDIED-UHFFFAOYSA-N
XLogP1.47
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110035158) is 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1.I.
What is the InChIKey of 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is GVKUOFPGZGDIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2.HI/c1-5-20-19(22-13-17(26)23(2)3)21-12-15-11-16(25)24(4)18(15)14-9-7-6-8-10-14;/h6-10,15,18H,5,11-13H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 487.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110035158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).