N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide

C20H20N4O3 — CID 90854337

IUPACN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(/C(C)=N\N=C(C)N)cc3)cc2c1
InChIInChI=1S/C20H20N4O3/c1-12(23-24-13(2)21)14-4-6-16(7-5-14)22-20(25)19-11-15-10-17(26-3)8-9-18(15)27-19/h4-11H,1-3H3,(H2,21,24)(H,22,25)/b23-12-
InChIKeyGXOCWJLMVUCNMI-FMCGGJTJSA-N
MW364.41 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide

N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide (PubChem CID 90854337) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
PubChem CID90854337
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(/C(C)=N\N=C(C)N)cc3)cc2c1
InChIInChI=1S/C20H20N4O3/c1-12(23-24-13(2)21)14-4-6-16(7-5-14)22-20(25)19-11-15-10-17(26-3)8-9-18(15)27-19/h4-11H,1-3H3,(H2,21,24)(H,22,25)/b23-12-
InChIKeyGXOCWJLMVUCNMI-FMCGGJTJSA-N
XLogP3.79
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.79
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

5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
CID 91260047
N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 172935644
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194096
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide (CID 90854337) is N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(/C(C)=N\N=C(C)N)cc3)cc2c1.
What is the InChIKey of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is GXOCWJLMVUCNMI-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(23-24-13(2)21)14-4-6-16(7-5-14)22-20(25)19-11-15-10-17(26-3)8-9-18(15)27-19/h4-11H,1-3H3,(H2,21,24)(H,22,25)/b23-12-.
What are the key properties of N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide?
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).