2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

C18H25N3O — CID 70159942

IUPAC2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1CCCN1C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O/c1-13(16-12-20-17-8-4-3-7-15(16)17)18(22)19-10-9-14-6-5-11-21(14)2/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyDNCHRYNGHAZTNJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.87
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (PubChem CID 70159942) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
PubChem CID70159942
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1CCCN1C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O/c1-13(16-12-20-17-8-4-3-7-15(16)17)18(22)19-10-9-14-6-5-11-21(14)2/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyDNCHRYNGHAZTNJ-UHFFFAOYSA-N
XLogP2.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (CID 70159942) is 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is CC(C(=O)NCCC1CCCN1C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The InChIKey is DNCHRYNGHAZTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(16-12-20-17-8-4-3-7-15(16)17)18(22)19-10-9-14-6-5-11-21(14)2/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 70159942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).