N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

C14H21N3O — CID 102661706

IUPACN-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(=O)CN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C14H21N3O/c1-10(15-2)11-4-5-13-12(8-11)6-7-17(13)9-14(18)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyFHDFACJDVPPCCP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.08
Rot. Bonds4

About N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (PubChem CID 102661706) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
PubChem CID102661706
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(=O)CN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C14H21N3O/c1-10(15-2)11-4-5-13-12(8-11)6-7-17(13)9-14(18)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyFHDFACJDVPPCCP-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (CID 102661706) is N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is CNC(=O)CN1CCc2cc(C(C)NC)ccc21.
What is the InChIKey of N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is FHDFACJDVPPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(15-2)11-4-5-13-12(8-11)6-7-17(13)9-14(18)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 102661706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).