N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

C21H24N2O3 — CID 113200075

IUPACN-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C21H24N2O3/c1-3-23(4-2)16-7-5-15(6-8-16)22-21(24)19-17-10-12-25-18(17)13-14-9-11-26-20(14)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,24)
InChIKeyZMTFSFIJWUMORR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.65
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (PubChem CID 113200075) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
PubChem CID113200075
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C21H24N2O3/c1-3-23(4-2)16-7-5-15(6-8-16)22-21(24)19-17-10-12-25-18(17)13-14-9-11-26-20(14)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,24)
InChIKeyZMTFSFIJWUMORR-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
N-(4-piperidin-1-ylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200077
N-(3,5-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200103
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200025
N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200045
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
1-(4-chlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
N-prop-2-enyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199376

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (CID 113200075) is N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The InChIKey is ZMTFSFIJWUMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-23(4-2)16-7-5-15(6-8-16)22-21(24)19-17-10-12-25-18(17)13-14-9-11-26-20(14)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is sourced from PubChem (CID 113200075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).