N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide

C18H31N3O — CID 170906485

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CNC2CCCCC12)C1CNC2CCCCC21
InChIInChI=1S/C18H31N3O/c22-18(15-11-20-17-8-4-2-6-14(15)17)21-10-12-9-19-16-7-3-1-5-13(12)16/h12-17,19-20H,1-11H2,(H,21,22)
InChIKeyTXNUZMMGQGSVBJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.66
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide (PubChem CID 170906485) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
PubChem CID170906485
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
SMILESO=C(NCC1CNC2CCCCC12)C1CNC2CCCCC21
InChIInChI=1S/C18H31N3O/c22-18(15-11-20-17-8-4-2-6-14(15)17)21-10-12-9-19-16-7-3-1-5-13(12)16/h12-17,19-20H,1-11H2,(H,21,22)
InChIKeyTXNUZMMGQGSVBJ-UHFFFAOYSA-N
XLogP1.66
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-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-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide (CID 170906485) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide is O=C(NCC1CNC2CCCCC12)C1CNC2CCCCC21.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide?
The InChIKey is TXNUZMMGQGSVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c22-18(15-11-20-17-8-4-2-6-14(15)17)21-10-12-9-19-16-7-3-1-5-13(12)16/h12-17,19-20H,1-11H2,(H,21,22).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide has a molecular weight of 305.47 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide is sourced from PubChem (CID 170906485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).