N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

C25H29N3O2 — CID 3888160

IUPACN-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12
InChIInChI=1S/C25H29N3O2/c1-16(2)13-14-26-24(29)17(3)28-23(19-10-5-6-11-20(19)25(28)30)21-15-27(4)22-12-8-7-9-18(21)22/h5-12,15-17,23H,13-14H2,1-4H3,(H,26,29)
InChIKeyARUAMLRAKZLUQU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.27
Rot. Bonds6

About N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (PubChem CID 3888160) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
PubChem CID3888160
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12
InChIInChI=1S/C25H29N3O2/c1-16(2)13-14-26-24(29)17(3)28-23(19-10-5-6-11-20(19)25(28)30)21-15-27(4)22-12-8-7-9-18(21)22/h5-12,15-17,23H,13-14H2,1-4H3,(H,26,29)
InChIKeyARUAMLRAKZLUQU-UHFFFAOYSA-N
XLogP4.27
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (CID 3888160) is N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is CC(C)CCNC(=O)C(C)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The InChIKey is ARUAMLRAKZLUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16(2)13-14-26-24(29)17(3)28-23(19-10-5-6-11-20(19)25(28)30)21-15-27(4)22-12-8-7-9-18(21)22/h5-12,15-17,23H,13-14H2,1-4H3,(H,26,29).
What are the key properties of N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide has a molecular weight of 403.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 3888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).