N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide

C23H22N2O3 — CID 21221600

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4coc5ccccc45)cc3c2C1
InChIInChI=1S/C23H22N2O3/c1-25(2)15-8-10-22-18(12-15)17-11-14(7-9-21(17)28-22)24-23(26)19-13-27-20-6-4-3-5-16(19)20/h3-7,9,11,13,15H,8,10,12H2,1-2H3,(H,24,26)
InChIKeyQPFKQUXFVYDDAM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.85
Rot. Bonds3

About N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 21221600) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide
PubChem CID21221600
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4coc5ccccc45)cc3c2C1
InChIInChI=1S/C23H22N2O3/c1-25(2)15-8-10-22-18(12-15)17-11-14(7-9-21(17)28-22)24-23(26)19-13-27-20-6-4-3-5-16(19)20/h3-7,9,11,13,15H,8,10,12H2,1-2H3,(H,24,26)
InChIKeyQPFKQUXFVYDDAM-UHFFFAOYSA-N
XLogP4.85
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11573764
3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11681731
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
Methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
CID 17957007
methyl N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]carbamate
CID 18174981
N-(2-(5-Methoxycarbonylamino-benzo[b]furan-3-yl)ethyl)cyclopropylcarboxamide
CID 25014882
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
CID 2268521
3-Dibenzofuran-2-yl-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
CID 10959710
3-[3-(dimethylamino)propyl]-4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]benzamide
CID 44532772
Methyl 3-(2-but-3-enamidoethyl)benzofuran-5-ylcarbamate
CID 44593610
N-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 646062

Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide (CID 21221600) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide is CN(C)C1CCc2oc3ccc(NC(=O)c4coc5ccccc45)cc3c2C1.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is QPFKQUXFVYDDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-25(2)15-8-10-22-18(12-15)17-11-14(7-9-21(17)28-22)24-23(26)19-13-27-20-6-4-3-5-16(19)20/h3-7,9,11,13,15H,8,10,12H2,1-2H3,(H,24,26).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 21221600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).