N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide

C19H27N3O2 — CID 166289025

IUPACN-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide
SMILESCC1(C(=O)NCC2(CO)CC23CCNCC3)Cc2ccccc2N1
InChIInChI=1S/C19H27N3O2/c1-17(10-14-4-2-3-5-15(14)22-17)16(24)21-12-19(13-23)11-18(19)6-8-20-9-7-18/h2-5,20,22-23H,6-13H2,1H3,(H,21,24)
InChIKeyVLDGHVPGCDJVAS-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.28
Rot. Bonds4

About N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide

N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide (PubChem CID 166289025) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide
PubChem CID166289025
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide
SMILESCC1(C(=O)NCC2(CO)CC23CCNCC3)Cc2ccccc2N1
InChIInChI=1S/C19H27N3O2/c1-17(10-14-4-2-3-5-15(14)22-17)16(24)21-12-19(13-23)11-18(19)6-8-20-9-7-18/h2-5,20,22-23H,6-13H2,1H3,(H,21,24)
InChIKeyVLDGHVPGCDJVAS-UHFFFAOYSA-N
XLogP1.28
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide (CID 166289025) is N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide is CC1(C(=O)NCC2(CO)CC23CCNCC3)Cc2ccccc2N1.
What is the InChIKey of N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide?
The InChIKey is VLDGHVPGCDJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-17(10-14-4-2-3-5-15(14)22-17)16(24)21-12-19(13-23)11-18(19)6-8-20-9-7-18/h2-5,20,22-23H,6-13H2,1H3,(H,21,24).
What are the key properties of N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide?
N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-1,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 166289025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).