N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide

C19H18N2O3 — CID 7431748

IUPACN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-23-16-10-8-14(9-11-16)13(2)20-21-19(22)18-12-15-6-4-5-7-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-13+
InChIKeyLWIAKBGDWGPLEQ-DEDYPNTBSA-N
MW322.36 g/mol
LogP3.99
Rot. Bonds5

About N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 7431748) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
PubChem CID7431748
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-23-16-10-8-14(9-11-16)13(2)20-21-19(22)18-12-15-6-4-5-7-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-13+
InChIKeyLWIAKBGDWGPLEQ-DEDYPNTBSA-N
XLogP3.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide (CID 7431748) is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide is CCOc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is LWIAKBGDWGPLEQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-16-10-8-14(9-11-16)13(2)20-21-19(22)18-12-15-6-4-5-7-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7431748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).