N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide

C19H19N3O3 — CID 4600843

IUPACN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C(C)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O3/c1-13(18-11-14-7-3-5-9-16(14)25-18)21-22-19(23)12-20-15-8-4-6-10-17(15)24-2/h3-11,20H,12H2,1-2H3,(H,22,23)
InChIKeyDVLUYWLSFYJOKB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide

N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 4600843) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID4600843
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C(C)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O3/c1-13(18-11-14-7-3-5-9-16(14)25-18)21-22-19(23)12-20-15-8-4-6-10-17(15)24-2/h3-11,20H,12H2,1-2H3,(H,22,23)
InChIKeyDVLUYWLSFYJOKB-UHFFFAOYSA-N
XLogP3.39
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 135574173
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6218177
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
CID 163360864
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8867249

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide (CID 4600843) is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)NN=C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is DVLUYWLSFYJOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(18-11-14-7-3-5-9-16(14)25-18)21-22-19(23)12-20-15-8-4-6-10-17(15)24-2/h3-11,20H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 4600843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).