N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C26H25N3O4 — CID 55897560

IUPACN-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1cc2c(cc1NC(=O)CNc1cc(NC(=O)C3CC3)ccc1C)oc1ccccc12
InChIInChI=1S/C26H25N3O4/c1-15-7-10-17(28-26(31)16-8-9-16)11-20(15)27-14-25(30)29-21-13-23-19(12-24(21)32-2)18-5-3-4-6-22(18)33-23/h3-7,10-13,16,27H,8-9,14H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyZMJSSBMJOPPOAE-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.30
Rot. Bonds7

About N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55897560) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55897560
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1cc2c(cc1NC(=O)CNc1cc(NC(=O)C3CC3)ccc1C)oc1ccccc12
InChIInChI=1S/C26H25N3O4/c1-15-7-10-17(28-26(31)16-8-9-16)11-20(15)27-14-25(30)29-21-13-23-19(12-24(21)32-2)18-5-3-4-6-22(18)33-23/h3-7,10-13,16,27H,8-9,14H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyZMJSSBMJOPPOAE-UHFFFAOYSA-N
XLogP5.30
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583228
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16580953
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583231
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
CID 42068388
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42068320
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 86910638
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8766963
N-(2-methoxydibenzofuran-3-yl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616682

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55897560) is N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is COc1cc2c(cc1NC(=O)CNc1cc(NC(=O)C3CC3)ccc1C)oc1ccccc12.
What is the InChIKey of N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is ZMJSSBMJOPPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-15-7-10-17(28-26(31)16-8-9-16)11-20(15)27-14-25(30)29-21-13-23-19(12-24(21)32-2)18-5-3-4-6-22(18)33-23/h3-7,10-13,16,27H,8-9,14H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 443.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55897560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).