N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide

C20H32N4O2 — CID 110956160

IUPACN-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-3-21-20(24-10-4-5-11-24)22-16-19(23-12-14-26-15-13-23)17-6-8-18(25-2)9-7-17/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,22)
InChIKeyOEOJZSAAVBEHIK-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.13
Rot. Bonds6

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

N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide (PubChem CID 110956160) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
PubChem CID110956160
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-3-21-20(24-10-4-5-11-24)22-16-19(23-12-14-26-15-13-23)17-6-8-18(25-2)9-7-17/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,22)
InChIKeyOEOJZSAAVBEHIK-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
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

(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550765
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
N-ethyl-N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728037
methyl 1-[N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253176
4-ethoxy-N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959716
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111309851
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111604771
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111604770
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111291862
1-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide (CID 110956160) is N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide?
The InChIKey is OEOJZSAAVBEHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-21-20(24-10-4-5-11-24)22-16-19(23-12-14-26-15-13-23)17-6-8-18(25-2)9-7-17/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide has a molecular weight of 360.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).