N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide

C26H27N3O4 — CID 42068388

IUPACN,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C26H27N3O4/c1-4-29(5-2)26(31)17-10-12-18(13-11-17)28-25(30)16-27-21-15-23-20(14-24(21)32-3)19-8-6-7-9-22(19)33-23/h6-15,27H,4-5,16H2,1-3H3,(H,28,30)
InChIKeyYRBPRTKSQJAJNQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.13
Rot. Bonds8

About N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide

N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide (PubChem CID 42068388) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
PubChem CID42068388
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C26H27N3O4/c1-4-29(5-2)26(31)17-10-12-18(13-11-17)28-25(30)16-27-21-15-23-20(14-24(21)32-3)19-8-6-7-9-22(19)33-23/h6-15,27H,4-5,16H2,1-3H3,(H,28,30)
InChIKeyYRBPRTKSQJAJNQ-UHFFFAOYSA-N
XLogP5.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26531357
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16580953
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583228
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 112768160
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583231
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897560
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54817414
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
N-(2-methoxydibenzofuran-3-yl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616682
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42068320

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide (CID 42068388) is N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide?
The InChIKey is YRBPRTKSQJAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-4-29(5-2)26(31)17-10-12-18(13-11-17)28-25(30)16-27-21-15-23-20(14-24(21)32-3)19-8-6-7-9-22(19)33-23/h6-15,27H,4-5,16H2,1-3H3,(H,28,30).
What are the key properties of N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide has a molecular weight of 445.52 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 42068388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).