9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one

C20H29NO2 — CID 10852844

IUPAC9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
SMILESCC(C)(C)OCCCc1c2c(nc3c1CCCC3=O)CCCC2
InChIInChI=1S/C20H29NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h4-13H2,1-3H3
InChIKeyYLBWTCWFPYHSPP-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.23
Rot. Bonds4

About 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one

9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one (PubChem CID 10852844) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one.

Molecular Properties

Compound Name9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
PubChem CID10852844
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
SMILESCC(C)(C)OCCCc1c2c(nc3c1CCCC3=O)CCCC2
InChIInChI=1S/C20H29NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h4-13H2,1-3H3
InChIKeyYLBWTCWFPYHSPP-UHFFFAOYSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one?
The IUPAC name of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one (CID 10852844) is 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one.
What is the SMILES notation for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one?
The canonical SMILES for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one is CC(C)(C)OCCCc1c2c(nc3c1CCCC3=O)CCCC2.
What is the InChIKey of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one?
The InChIKey is YLBWTCWFPYHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h4-13H2,1-3H3.
What are the key properties of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one?
9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one has a molecular weight of 315.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one is sourced from PubChem (CID 10852844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).