N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide

C23H21N3O6 — CID 27826201

IUPACN-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O6/c1-30-10-9-24-17-8-7-14(11-19(17)26(28)29)23(27)25-18-13-21-16(12-22(18)31-2)15-5-3-4-6-20(15)32-21/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,27)
InChIKeyYHTVUFOMFQMBIX-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.81
Rot. Bonds8

About N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide

N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 27826201) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID27826201
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O6/c1-30-10-9-24-17-8-7-14(11-19(17)26(28)29)23(27)25-18-13-21-16(12-22(18)31-2)15-5-3-4-6-20(15)32-21/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,27)
InChIKeyYHTVUFOMFQMBIX-UHFFFAOYSA-N
XLogP4.81
TPSA115.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
methyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate
CID 30122648
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55538481
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 27826201) is N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is YHTVUFOMFQMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-30-10-9-24-17-8-7-14(11-19(17)26(28)29)23(27)25-18-13-21-16(12-22(18)31-2)15-5-3-4-6-20(15)32-21/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 435.44 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 27826201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).