N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide

C25H37N3O — CID 71754330

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide
SMILESCC(C)n1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21
InChIInChI=1S/C25H37N3O/c1-19(2)28-18-21(22-11-3-4-13-24(22)28)9-7-14-25(29)26-17-20-10-8-16-27-15-6-5-12-23(20)27/h3-4,11,13,18-20,23H,5-10,12,14-17H2,1-2H3,(H,26,29)/t20-,23+/m0/s1
InChIKeyGNZVPDSPCKPLRR-NZQKXSOJSA-N
MW395.59 g/mol
LogP4.93
Rot. Bonds7

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide (PubChem CID 71754330) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide
PubChem CID71754330
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide
SMILESCC(C)n1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21
InChIInChI=1S/C25H37N3O/c1-19(2)28-18-21(22-11-3-4-13-24(22)28)9-7-14-25(29)26-17-20-10-8-16-27-15-6-5-12-23(20)27/h3-4,11,13,18-20,23H,5-10,12,14-17H2,1-2H3,(H,26,29)/t20-,23+/m0/s1
InChIKeyGNZVPDSPCKPLRR-NZQKXSOJSA-N
XLogP4.93
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide (CID 71754330) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide is CC(C)n1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The InChIKey is GNZVPDSPCKPLRR-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H37N3O/c1-19(2)28-18-21(22-11-3-4-13-24(22)28)9-7-14-25(29)26-17-20-10-8-16-27-15-6-5-12-23(20)27/h3-4,11,13,18-20,23H,5-10,12,14-17H2,1-2H3,(H,26,29)/t20-,23+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide has a molecular weight of 395.59 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide is sourced from PubChem (CID 71754330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).