N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide

C23H39N5O3 — CID 110056334

IUPACN-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C23H39N5O3/c1-3-22(31-14-1)4-7-25-23(24-6-2-8-26-10-15-29-16-11-26)28-9-5-21(20-28)19-27-12-17-30-18-13-27/h1,3,14,21H,2,4-13,15-20H2,(H,24,25)
InChIKeyANPMZPYJAIOFNV-UHFFFAOYSA-N
MW433.60 g/mol
LogP1.14
Rot. Bonds9

About N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 110056334) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
PubChem CID110056334
Molecular FormulaC23H39N5O3
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C23H39N5O3/c1-3-22(31-14-1)4-7-25-23(24-6-2-8-26-10-15-29-16-11-26)28-9-5-21(20-28)19-27-12-17-30-18-13-27/h1,3,14,21H,2,4-13,15-20H2,(H,24,25)
InChIKeyANPMZPYJAIOFNV-UHFFFAOYSA-N
XLogP1.14
TPSA65.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056339
N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111153989
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 110057410
1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
CID 110060643
methyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252705
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056190
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056202
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947333
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056230

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide (CID 110056334) is N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide is c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(CN3CCOCC3)C2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is ANPMZPYJAIOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O3/c1-3-22(31-14-1)4-7-25-23(24-6-2-8-26-10-15-29-16-11-26)28-9-5-21(20-28)19-27-12-17-30-18-13-27/h1,3,14,21H,2,4-13,15-20H2,(H,24,25).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 433.60 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110056334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).