5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide

C20H21N3O5 — CID 126193674

IUPAC5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N/N=C/c3ccc(N4CCOCC4)o3)cc2c1
InChIInChI=1S/C20H21N3O5/c1-2-26-15-3-5-17-14(11-15)12-18(28-17)20(24)22-21-13-16-4-6-19(27-16)23-7-9-25-10-8-23/h3-6,11-13H,2,7-10H2,1H3,(H,22,24)/b21-13+
InChIKeyQFZAYANKTGWJKS-FYJGNVAPSA-N
MW383.40 g/mol
LogP3.03
Rot. Bonds6

About 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide

5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 126193674) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID126193674
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N/N=C/c3ccc(N4CCOCC4)o3)cc2c1
InChIInChI=1S/C20H21N3O5/c1-2-26-15-3-5-17-14(11-15)12-18(28-17)20(24)22-21-13-16-4-6-19(27-16)23-7-9-25-10-8-23/h3-6,11-13H,2,7-10H2,1H3,(H,22,24)/b21-13+
InChIKeyQFZAYANKTGWJKS-FYJGNVAPSA-N
XLogP3.03
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194465
5-ethoxy-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126194311
5-ethoxy-N-[(E)-(4-phenylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126193263
N-[(E)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126028715
5-ethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126192788
N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194085
4-[[4-[(E)-[(5-ethoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126195933
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192822
N-[(E)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126193167
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126191027
N-[(E)-(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131342
N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194285

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 126193674) is 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)N/N=C/c3ccc(N4CCOCC4)o3)cc2c1.
What is the InChIKey of 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is QFZAYANKTGWJKS-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-2-26-15-3-5-17-14(11-15)12-18(28-17)20(24)22-21-13-16-4-6-19(27-16)23-7-9-25-10-8-23/h3-6,11-13H,2,7-10H2,1H3,(H,22,24)/b21-13+.
What are the key properties of 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide?
5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126193674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).