N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide

C29H26N2O7 — CID 155486684

IUPACN-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
SMILESCOc1ccc(-c2oc3cc4c(cc3c2CC(=O)NCCC2C(=O)Nc3ccc(OC)cc32)OCO4)cc1
InChIInChI=1S/C29H26N2O7/c1-34-17-5-3-16(4-6-17)28-22(21-12-25-26(37-15-36-25)14-24(21)38-28)13-27(32)30-10-9-19-20-11-18(35-2)7-8-23(20)31-29(19)33/h3-8,11-12,14,19H,9-10,13,15H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyQZFKVMNBKPSBIM-UHFFFAOYSA-N
MW514.53 g/mol
LogP4.63
Rot. Bonds8

About N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide

N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide (PubChem CID 155486684) has the molecular formula C29H26N2O7 and a molecular weight of 514.53 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
PubChem CID155486684
Molecular FormulaC29H26N2O7
Molecular Weight514.53 g/mol
Exact Mass514.17
IUPAC NameN-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
SMILESCOc1ccc(-c2oc3cc4c(cc3c2CC(=O)NCCC2C(=O)Nc3ccc(OC)cc32)OCO4)cc1
InChIInChI=1S/C29H26N2O7/c1-34-17-5-3-16(4-6-17)28-22(21-12-25-26(37-15-36-25)14-24(21)38-28)13-27(32)30-10-9-19-20-11-18(35-2)7-8-23(20)31-29(19)33/h3-8,11-12,14,19H,9-10,13,15H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyQZFKVMNBKPSBIM-UHFFFAOYSA-N
XLogP4.63
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide (CID 155486684) is N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide is COc1ccc(-c2oc3cc4c(cc3c2CC(=O)NCCC2C(=O)Nc3ccc(OC)cc32)OCO4)cc1.
What is the InChIKey of N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The InChIKey is QZFKVMNBKPSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O7/c1-34-17-5-3-16(4-6-17)28-22(21-12-25-26(37-15-36-25)14-24(21)38-28)13-27(32)30-10-9-19-20-11-18(35-2)7-8-23(20)31-29(19)33/h3-8,11-12,14,19H,9-10,13,15H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide has a molecular weight of 514.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide is sourced from PubChem (CID 155486684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).