3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

C18H26N2O4 — CID 78143630

IUPAC3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
SMILESCOc1ccc(OCCN2CCC3CCCC(N3)C2=O)cc1OC
InChIInChI=1S/C18H26N2O4/c1-22-16-7-6-14(12-17(16)23-2)24-11-10-20-9-8-13-4-3-5-15(19-13)18(20)21/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyWNVZFDLCMSPABG-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.83
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one (PubChem CID 78143630) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
PubChem CID78143630
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
SMILESCOc1ccc(OCCN2CCC3CCCC(N3)C2=O)cc1OC
InChIInChI=1S/C18H26N2O4/c1-22-16-7-6-14(12-17(16)23-2)24-11-10-20-9-8-13-4-3-5-15(19-13)18(20)21/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyWNVZFDLCMSPABG-UHFFFAOYSA-N
XLogP1.83
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one (CID 78143630) is 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one is COc1ccc(OCCN2CCC3CCCC(N3)C2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one?
The InChIKey is WNVZFDLCMSPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-7-6-14(12-17(16)23-2)24-11-10-20-9-8-13-4-3-5-15(19-13)18(20)21/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one?
3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one is sourced from PubChem (CID 78143630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).