N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide

C25H24N4O3 — CID 89033049

IUPACN'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
SMILESCC/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/OC)cc4)o3)o2)cc1
InChIInChI=1S/C25H24N4O3/c1-3-28-24(26)18-8-4-16(5-9-18)20-12-14-22(31-20)23-15-13-21(32-23)17-6-10-19(11-7-17)25(27)29-30-2/h4-15H,3H2,1-2H3,(H2,26,28)(H2,27,29)
InChIKeyXNQPHJRQYDYTKA-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.87
Rot. Bonds7

About N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide

N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide (PubChem CID 89033049) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
PubChem CID89033049
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
SMILESCC/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/OC)cc4)o3)o2)cc1
InChIInChI=1S/C25H24N4O3/c1-3-28-24(26)18-8-4-16(5-9-18)20-12-14-22(31-20)23-15-13-21(32-23)17-6-10-19(11-7-17)25(27)29-30-2/h4-15H,3H2,1-2H3,(H2,26,28)(H2,27,29)
InChIKeyXNQPHJRQYDYTKA-UHFFFAOYSA-N
XLogP4.87
TPSA112.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
CID 5482488
N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
CID 87754286
[(E)-[[4-[5-[5-[(Z)-N'-acetyloxycarbamimidoyl]furan-2-yl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 87536233
N'-[(4-chlorophenyl)methyl]-4-[5-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205783
[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205786
2,4,5-trideuterio-N'-methoxy-6-[5-[3,4,6-trideuterio-5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride
CID 11995223
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
CID 58767878
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide?
The IUPAC name of N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide (CID 89033049) is N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide is CC/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/OC)cc4)o3)o2)cc1.
What is the InChIKey of N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide?
The InChIKey is XNQPHJRQYDYTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-28-24(26)18-8-4-16(5-9-18)20-12-14-22(31-20)23-15-13-21(32-23)17-6-10-19(11-7-17)25(27)29-30-2/h4-15H,3H2,1-2H3,(H2,26,28)(H2,27,29).
What are the key properties of N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide?
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide has a molecular weight of 428.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 89033049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).