N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide

C28H32N2O5 — CID 155486634

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
SMILESCOc1ccc(-c2oc3cc4c(cc3c2CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)OCO4)cc1
InChIInChI=1S/C28H32N2O5/c1-32-20-9-7-18(8-10-20)28-22(21-13-25-26(34-17-33-25)15-24(21)35-28)14-27(31)29-16-19-5-4-12-30-11-3-2-6-23(19)30/h7-10,13,15,19,23H,2-6,11-12,14,16-17H2,1H3,(H,29,31)/t19-,23+/m0/s1
InChIKeyAJESNTDVCIZFLZ-WMZHIEFXSA-N
MW476.57 g/mol
LogP4.76
Rot. Bonds6

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide (PubChem CID 155486634) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
PubChem CID155486634
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
SMILESCOc1ccc(-c2oc3cc4c(cc3c2CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)OCO4)cc1
InChIInChI=1S/C28H32N2O5/c1-32-20-9-7-18(8-10-20)28-22(21-13-25-26(34-17-33-25)15-24(21)35-28)14-27(31)29-16-19-5-4-12-30-11-3-2-6-23(19)30/h7-10,13,15,19,23H,2-6,11-12,14,16-17H2,1H3,(H,29,31)/t19-,23+/m0/s1
InChIKeyAJESNTDVCIZFLZ-WMZHIEFXSA-N
XLogP4.76
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide 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]-2-[2-(4-methoxyphenyl)-4-oxofuro[3,2-c]chromen-3-yl]acetamide
CID 171038274
N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
CID 155486684
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 124652635
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 71951013
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 100850546
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 91637612
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 100819568
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125387938
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxamide
CID 125413823
(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide
CID 155486693
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 125402338

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]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide (CID 155486634) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide is COc1ccc(-c2oc3cc4c(cc3c2CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)OCO4)cc1.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
The InChIKey is AJESNTDVCIZFLZ-WMZHIEFXSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-32-20-9-7-18(8-10-20)28-22(21-13-25-26(34-17-33-25)15-24(21)35-28)14-27(31)29-16-19-5-4-12-30-11-3-2-6-23(19)30/h7-10,13,15,19,23H,2-6,11-12,14,16-17H2,1H3,(H,29,31)/t19-,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]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide has a molecular weight of 476.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide is sourced from PubChem (CID 155486634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).