N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide

C24H24N2O4 — CID 147020302

IUPACN-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)CC3)cc1
InChIInChI=1S/C24H24N2O4/c1-29-14-3-13-25-17-7-5-16(6-8-17)24(28)26-20-11-9-18(22-4-2-15-30-22)19-10-12-21(27)23(19)20/h2,4-9,11,15,25H,3,10,12-14H2,1H3,(H,26,28)
InChIKeyAVOLIBWSIWTWLH-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.78
Rot. Bonds8

About N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide (PubChem CID 147020302) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
PubChem CID147020302
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)CC3)cc1
InChIInChI=1S/C24H24N2O4/c1-29-14-3-13-25-17-7-5-16(6-8-17)24(28)26-20-11-9-18(22-4-2-15-30-22)19-10-12-21(27)23(19)20/h2,4-9,11,15,25H,3,10,12-14H2,1H3,(H,26,28)
InChIKeyAVOLIBWSIWTWLH-UHFFFAOYSA-N
XLogP4.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
CID 122639060
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
CID 122639297
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
CID 160848649
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
CID 161482084
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
N-[7-(2-methyl-1,3-benzoxazol-7-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 159069224
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide
CID 160939097

Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide?
The IUPAC name of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide (CID 147020302) is N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide.
What is the SMILES notation for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide?
The canonical SMILES for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide is COCCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)CC3)cc1.
What is the InChIKey of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide?
The InChIKey is AVOLIBWSIWTWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-14-3-13-25-17-7-5-16(6-8-17)24(28)26-20-11-9-18(22-4-2-15-30-22)19-10-12-21(27)23(19)20/h2,4-9,11,15,25H,3,10,12-14H2,1H3,(H,26,28).
What are the key properties of N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide?
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide is sourced from PubChem (CID 147020302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).