N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide

C20H28N4O3 — CID 36919545

IUPACN-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOCC1)CCCC2
InChIInChI=1S/C20H28N4O3/c21-12-17-16-5-1-2-6-18(16)24(13-15-4-3-9-27-15)20(17)22-19(25)14-23-7-10-26-11-8-23/h15H,1-11,13-14H2,(H,22,25)/t15-/m1/s1
InChIKeyYFJYEXRPXOHMJO-OAHLLOKOSA-N
MW372.47 g/mol
LogP1.69
Rot. Bonds5

About N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide

N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 36919545) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID36919545
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOCC1)CCCC2
InChIInChI=1S/C20H28N4O3/c21-12-17-16-5-1-2-6-18(16)24(13-15-4-3-9-27-15)20(17)22-19(25)14-23-7-10-26-11-8-23/h15H,1-11,13-14H2,(H,22,25)/t15-/m1/s1
InChIKeyYFJYEXRPXOHMJO-OAHLLOKOSA-N
XLogP1.69
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide 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-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide (CID 36919545) is N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide is N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOCC1)CCCC2.
What is the InChIKey of N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is YFJYEXRPXOHMJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O3/c21-12-17-16-5-1-2-6-18(16)24(13-15-4-3-9-27-15)20(17)22-19(25)14-23-7-10-26-11-8-23/h15H,1-11,13-14H2,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide?
N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 372.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 36919545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).