N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide

C32H26N2O5 — CID 66642338

IUPACN-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cc1
InChIInChI=1S/C32H26N2O5/c1-2-20-11-13-22(14-12-20)33-30(35)23-8-4-3-7-21(23)17-34-26-10-6-5-9-24(26)32(31(34)36)18-37-27-16-29-28(15-25(27)32)38-19-39-29/h3-16H,2,17-19H2,1H3,(H,33,35)
InChIKeySFMRNUQWSPRZKV-UHFFFAOYSA-N
MW518.57 g/mol
LogP5.46
Rot. Bonds5

About N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide

N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide (PubChem CID 66642338) has the molecular formula C32H26N2O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
PubChem CID66642338
Molecular FormulaC32H26N2O5
Molecular Weight518.57 g/mol
Exact Mass518.18
IUPAC NameN-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cc1
InChIInChI=1S/C32H26N2O5/c1-2-20-11-13-22(14-12-20)33-30(35)23-8-4-3-7-21(23)17-34-26-10-6-5-9-24(26)32(31(34)36)18-37-27-16-29-28(15-25(27)32)38-19-39-29/h3-16H,2,17-19H2,1H3,(H,33,35)
InChIKeySFMRNUQWSPRZKV-UHFFFAOYSA-N
XLogP5.46
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641991
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924
N-(3-chlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641898
N-(2,6-dimethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642075
N-[(4-methoxyphenyl)methyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642010
N-[2-(4-chlorophenyl)ethyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11999047
2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 66642037
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1-(4-methylphenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
CID 66642741

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide (CID 66642338) is N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide is CCc1ccc(NC(=O)c2ccccc2CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The InChIKey is SFMRNUQWSPRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O5/c1-2-20-11-13-22(14-12-20)33-30(35)23-8-4-3-7-21(23)17-34-26-10-6-5-9-24(26)32(31(34)36)18-37-27-16-29-28(15-25(27)32)38-19-39-29/h3-16H,2,17-19H2,1H3,(H,33,35).
What are the key properties of N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide has a molecular weight of 518.57 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide is sourced from PubChem (CID 66642338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).