N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C24H25N3O3 — CID 110562986

IUPACN-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-15(2)14-27-23(29)21(18-8-10-19(11-9-18)25-16(3)28)22(24(27)30)26-13-12-17-6-4-5-7-20(17)26/h4-11,15H,12-14H2,1-3H3,(H,25,28)
InChIKeyMLCUQFSTJCDTEE-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.44
Rot. Bonds5

About N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110562986) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110562986
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-15(2)14-27-23(29)21(18-8-10-19(11-9-18)25-16(3)28)22(24(27)30)26-13-12-17-6-4-5-7-20(17)26/h4-11,15H,12-14H2,1-3H3,(H,25,28)
InChIKeyMLCUQFSTJCDTEE-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110562986) is N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is MLCUQFSTJCDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15(2)14-27-23(29)21(18-8-10-19(11-9-18)25-16(3)28)22(24(27)30)26-13-12-17-6-4-5-7-20(17)26/h4-11,15H,12-14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).