N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide

C20H26N4O2 — CID 111723093

IUPACN-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c1-2-21-20(23-12-11-22-19(25)18-9-6-14-26-18)24-13-10-17(15-24)16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,21,23)(H,22,25)
InChIKeyLZOSBJFSYJUXPY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111723093) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111723093
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c1-2-21-20(23-12-11-22-19(25)18-9-6-14-26-18)24-13-10-17(15-24)16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,21,23)(H,22,25)
InChIKeyLZOSBJFSYJUXPY-UHFFFAOYSA-N
XLogP2.46
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109441838
N-[2-[[1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 119144681
N-[2-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111301788
N-[2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111726482
N-[2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110960051
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109479544
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111722878
3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111722793
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-ethyl-3-[[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]methyl]benzamide
CID 111723799
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide (CID 111723093) is N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide is CCN/C(=N\CCNC(=O)c1ccco1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is LZOSBJFSYJUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-21-20(23-12-11-22-19(25)18-9-6-14-26-18)24-13-10-17(15-24)16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111723093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).