2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide

C19H29N5O2 — CID 111726933

IUPAC2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H29N5O2/c1-2-20-19(21-14-18(25)22-16-6-4-3-5-7-16)24-9-8-17(15-24)23-10-12-26-13-11-23/h3-7,17H,2,8-15H2,1H3,(H,20,21)(H,22,25)
InChIKeyOOZKSXRSCOXKOQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.00
Rot. Bonds5

About 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide

2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide (PubChem CID 111726933) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
PubChem CID111726933
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H29N5O2/c1-2-20-19(21-14-18(25)22-16-6-4-3-5-7-16)24-9-8-17(15-24)23-10-12-26-13-11-23/h3-7,17H,2,8-15H2,1H3,(H,20,21)(H,22,25)
InChIKeyOOZKSXRSCOXKOQ-UHFFFAOYSA-N
XLogP1.00
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111727310
2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111727410
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111725936
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111726067
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'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728740
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111728018
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
N-ethyl-3-morpholin-4-yl-N'-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111726429
N-ethyl-3-morpholin-4-yl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726854
3-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111726816
N-ethyl-N'-[[2-(methoxymethyl)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726109

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide (CID 111726933) is 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide is CCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide?
The InChIKey is OOZKSXRSCOXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-2-20-19(21-14-18(25)22-16-6-4-3-5-7-16)24-9-8-17(15-24)23-10-12-26-13-11-23/h3-7,17H,2,8-15H2,1H3,(H,20,21)(H,22,25).
What are the key properties of 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide?
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide has a molecular weight of 359.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).