(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate

C19H24N2O3 — CID 18963014

IUPAC(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OC2CC3CC4CC(C2)N3CC4=O)cc1
InChIInChI=1S/C19H24N2O3/c1-20(2)14-5-3-12(4-6-14)19(23)24-17-9-15-7-13-8-16(10-17)21(15)11-18(13)22/h3-6,13,15-17H,7-11H2,1-2H3
InChIKeySTHJGGRHBHWBFM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.10
Rot. Bonds3

About (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate

(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate (PubChem CID 18963014) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate
PubChem CID18963014
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OC2CC3CC4CC(C2)N3CC4=O)cc1
InChIInChI=1S/C19H24N2O3/c1-20(2)14-5-3-12(4-6-14)19(23)24-17-9-15-7-13-8-16(10-17)21(15)11-18(13)22/h3-6,13,15-17H,7-11H2,1-2H3
InChIKeySTHJGGRHBHWBFM-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate?
The IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate (CID 18963014) is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate.
What is the SMILES notation for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate?
The canonical SMILES for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OC2CC3CC4CC(C2)N3CC4=O)cc1.
What is the InChIKey of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate?
The InChIKey is STHJGGRHBHWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20(2)14-5-3-12(4-6-14)19(23)24-17-9-15-7-13-8-16(10-17)21(15)11-18(13)22/h3-6,13,15-17H,7-11H2,1-2H3.
What are the key properties of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate?
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate has a molecular weight of 328.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate is sourced from PubChem (CID 18963014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).