3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide

C34H30N2O4 — CID 59352124

IUPAC3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c1)c1ccccc1
InChIInChI=1S/C34H30N2O4/c1-22(24-9-3-2-4-10-24)19-35-32(37)26-11-7-8-23(16-26)20-36-29-13-6-5-12-27(29)34(33(36)38)21-40-31-18-30-25(14-15-39-30)17-28(31)34/h2-13,16-18,22H,14-15,19-21H2,1H3,(H,35,37)
InChIKeyBIJIWVVLKDRWNP-UHFFFAOYSA-N
MW530.62 g/mol
LogP5.38
Rot. Bonds6

About 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide

3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide (PubChem CID 59352124) has the molecular formula C34H30N2O4 and a molecular weight of 530.62 g/mol. Its IUPAC name is 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
PubChem CID59352124
Molecular FormulaC34H30N2O4
Molecular Weight530.62 g/mol
Exact Mass530.22
IUPAC Name3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c1)c1ccccc1
InChIInChI=1S/C34H30N2O4/c1-22(24-9-3-2-4-10-24)19-35-32(37)26-11-7-8-23(16-26)20-36-29-13-6-5-12-27(29)34(33(36)38)21-40-31-18-30-25(14-15-39-30)17-28(31)34/h2-13,16-18,22H,14-15,19-21H2,1H3,(H,35,37)
InChIKeyBIJIWVVLKDRWNP-UHFFFAOYSA-N
XLogP5.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
CID 59352733
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetyl chloride
CID 87100165
N-[2-(diethylamino)ethyl]-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642238
N-hexyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641996
1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 162011273
N-[2-(4-chlorophenyl)ethyl]-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642087
1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 153004893
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 87087347

Frequently Asked Questions

What is the IUPAC name of 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide (CID 59352124) is 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c1)c1ccccc1.
What is the InChIKey of 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide?
The InChIKey is BIJIWVVLKDRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O4/c1-22(24-9-3-2-4-10-24)19-35-32(37)26-11-7-8-23(16-26)20-36-29-13-6-5-12-27(29)34(33(36)38)21-40-31-18-30-25(14-15-39-30)17-28(31)34/h2-13,16-18,22H,14-15,19-21H2,1H3,(H,35,37).
What are the key properties of 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide?
3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide has a molecular weight of 530.62 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 59352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).