N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide

C25H40N2O2 — CID 163065529

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1
InChIInChI=1S/C25H40N2O2/c1-19(2)27(18-22-8-7-17-26-16-6-5-9-24(22)26)25(28)15-12-21-10-13-23(14-11-21)29-20(3)4/h10-11,13-14,19-20,22,24H,5-9,12,15-18H2,1-4H3
InChIKeyGGBDGQBPROZCEC-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.91
Rot. Bonds8

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 163065529) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID163065529
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1
InChIInChI=1S/C25H40N2O2/c1-19(2)27(18-22-8-7-17-26-16-6-5-9-24(22)26)25(28)15-12-21-10-13-23(14-11-21)29-20(3)4/h10-11,13-14,19-20,22,24H,5-9,12,15-18H2,1-4H3
InChIKeyGGBDGQBPROZCEC-UHFFFAOYSA-N
XLogP4.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide with MolForge

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Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 122169746
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-(4-chlorophenoxy)propanoate
CID 10906753
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 100819568
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 122169799
4-[[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl-ethylamino]methyl]benzoic acid
CID 56910815
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
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-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide (CID 163065529) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(CCC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is GGBDGQBPROZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-19(2)27(18-22-8-7-17-26-16-6-5-9-24(22)26)25(28)15-12-21-10-13-23(14-11-21)29-20(3)4/h10-11,13-14,19-20,22,24H,5-9,12,15-18H2,1-4H3.
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 400.61 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 163065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).