N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C24H39N5O2 — CID 111728037

IUPACN-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C24H39N5O2/c1-3-25-24(29-13-10-21(19-29)27-14-16-31-17-15-27)26-18-23(28-11-4-5-12-28)20-6-8-22(30-2)9-7-20/h6-9,21,23H,3-5,10-19H2,1-2H3,(H,25,26)
InChIKeyRBGOHWYDTXWGHO-UHFFFAOYSA-N
MW429.61 g/mol
LogP2.20
Rot. Bonds7

About N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111728037) has the molecular formula C24H39N5O2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111728037
Molecular FormulaC24H39N5O2
Molecular Weight429.61 g/mol
Exact Mass429.31
IUPAC NameN-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C24H39N5O2/c1-3-25-24(29-13-10-21(19-29)27-14-16-31-17-15-27)26-18-23(28-11-4-5-12-28)20-6-8-22(30-2)9-7-20/h6-9,21,23H,3-5,10-19H2,1-2H3,(H,25,26)
InChIKeyRBGOHWYDTXWGHO-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728707
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550765
N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
CID 110956160
4-ethoxy-N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959716
methyl 1-[N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253176
N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742825
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111726067
N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111991571
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111991568
N-ethyl-N'-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726485
N'-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727271

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111728037) is N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is RBGOHWYDTXWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O2/c1-3-25-24(29-13-10-21(19-29)27-14-16-31-17-15-27)26-18-23(28-11-4-5-12-28)20-6-8-22(30-2)9-7-20/h6-9,21,23H,3-5,10-19H2,1-2H3,(H,25,26).
What are the key properties of N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 429.61 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).