N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide

C25H37N3O2 — CID 122169942

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C25H37N3O2/c1-26-18-20(22-9-3-4-11-24(22)26)12-13-25(29)28(16-17-30-2)19-21-8-7-15-27-14-6-5-10-23(21)27/h3-4,9,11,18,21,23H,5-8,10,12-17,19H2,1-2H3/t21-,23+/m0/s1
InChIKeyOTSPUXOMYFUVKN-JTHBVZDNSA-N
MW411.59 g/mol
LogP3.85
Rot. Bonds8

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

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 122169942) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID122169942
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C25H37N3O2/c1-26-18-20(22-9-3-4-11-24(22)26)12-13-25(29)28(16-17-30-2)19-21-8-7-15-27-14-6-5-10-23(21)27/h3-4,9,11,18,21,23H,5-8,10,12-17,19H2,1-2H3/t21-,23+/m0/s1
InChIKeyOTSPUXOMYFUVKN-JTHBVZDNSA-N
XLogP3.85
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 110208151
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 125462640
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(3-methoxypropyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137169804
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide
CID 122169973
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 163091672
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137058806
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[1-(2-methoxyethyl)indol-3-yl]acetamide
CID 71753943
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)-N-(3-methoxypropyl)propanamide
CID 122169770
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxypropyl)acetamide
CID 122169767
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 125428031
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-benzyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 126417555
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 122169930

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]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide (CID 122169942) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide is COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is OTSPUXOMYFUVKN-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-26-18-20(22-9-3-4-11-24(22)26)12-13-25(29)28(16-17-30-2)19-21-8-7-15-27-14-6-5-10-23(21)27/h3-4,9,11,18,21,23H,5-8,10,12-17,19H2,1-2H3/t21-,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]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 411.59 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 122169942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).