[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C20H24N2O3 — CID 51328005

IUPAC[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)21-19-7-3-4-12-22(19)20(23)16-8-10-17(11-9-16)25-14-18-6-5-13-24-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/b21-19+
InChIKeyUBEADJZYEPGHMY-XUTLUUPISA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds5

About [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 51328005) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID51328005
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)21-19-7-3-4-12-22(19)20(23)16-8-10-17(11-9-16)25-14-18-6-5-13-24-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/b21-19+
InChIKeyUBEADJZYEPGHMY-XUTLUUPISA-N
XLogP3.04
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247773
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901252
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
CID 112794067
[4-(oxolan-2-ylmethoxy)phenyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42940692

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 51328005) is [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is UBEADJZYEPGHMY-XUTLUUPISA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)21-19-7-3-4-12-22(19)20(23)16-8-10-17(11-9-16)25-14-18-6-5-13-24-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/b21-19+.
What are the key properties of [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 51328005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).