[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone

C18H22N2O2 — CID 125474500

IUPAC[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-20(4-2)13-14-22-16-10-8-15(9-11-16)18(21)17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyZVGHRCIHJSMCRR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds8

About [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone

[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone (PubChem CID 125474500) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
PubChem CID125474500
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-20(4-2)13-14-22-16-10-8-15(9-11-16)18(21)17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyZVGHRCIHJSMCRR-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
CID 54115203

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone (CID 125474500) is [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone is CCN(CC)CCOc1ccc(C(=O)c2ccccn2)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone?
The InChIKey is ZVGHRCIHJSMCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-20(4-2)13-14-22-16-10-8-15(9-11-16)18(21)17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone?
[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 125474500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).