N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide

C25H23N3O4 — CID 20921032

IUPACN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide
SMILESCOc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H23N3O4/c1-27-20-8-4-3-7-19(20)22-23(16-9-11-17(31-2)12-10-16)28(25(30)24(22)27)15-21(29)26-14-18-6-5-13-32-18/h3-13,23H,14-15H2,1-2H3,(H,26,29)
InChIKeyKORDFLLKXWFNPP-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.64
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide (PubChem CID 20921032) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide
PubChem CID20921032
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide
SMILESCOc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H23N3O4/c1-27-20-8-4-3-7-19(20)22-23(16-9-11-17(31-2)12-10-16)28(25(30)24(22)27)15-21(29)26-14-18-6-5-13-32-18/h3-13,23H,14-15H2,1-2H3,(H,26,29)
InChIKeyKORDFLLKXWFNPP-UHFFFAOYSA-N
XLogP3.64
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide (CID 20921032) is N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide is COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide?
The InChIKey is KORDFLLKXWFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-27-20-8-4-3-7-19(20)22-23(16-9-11-17(31-2)12-10-16)28(25(30)24(22)27)15-21(29)26-14-18-6-5-13-32-18/h3-13,23H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide is sourced from PubChem (CID 20921032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).