5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide

C18H24N4O3 — CID 111908527

IUPAC5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)o1)NCCc1ccccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-20-18(22-12-14-8-9-16(25-14)17(19)23)21-11-10-13-6-4-5-7-15(13)24-2/h4-9H,3,10-12H2,1-2H3,(H2,19,23)(H2,20,21,22)
InChIKeyODWUDUXHHAOFPX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.68
Rot. Bonds8

About 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide

5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide (PubChem CID 111908527) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide
PubChem CID111908527
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)o1)NCCc1ccccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-20-18(22-12-14-8-9-16(25-14)17(19)23)21-11-10-13-6-4-5-7-15(13)24-2/h4-9H,3,10-12H2,1-2H3,(H2,19,23)(H2,20,21,22)
InChIKeyODWUDUXHHAOFPX-UHFFFAOYSA-N
XLogP1.68
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
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

1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111339717
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111340809
3-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111340595
5-[[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908580
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111340808
5-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908621
5-[[[[2-(1,3-benzodioxol-5-yl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908639
5-[[[N'-[(3,4-dimethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908254
3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111339188
5-[[[N-ethyl-N'-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111982936
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260214
2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111340523

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide (CID 111908527) is 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide is CCN/C(=N\Cc1ccc(C(N)=O)o1)NCCc1ccccc1OC.
What is the InChIKey of 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide?
The InChIKey is ODWUDUXHHAOFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-20-18(22-12-14-8-9-16(25-14)17(19)23)21-11-10-13-6-4-5-7-15(13)24-2/h4-9H,3,10-12H2,1-2H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide?
5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 111908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).