2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

C17H25NO2 — CID 116587669

IUPAC2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H25NO2/c1-4-5-18-16-11-20-10-15(16)17(19)9-14-7-12(2)6-13(3)8-14/h6-8,15-16,18H,4-5,9-11H2,1-3H3
InChIKeyUPIJEFLOLGURPL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.43
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 116587669) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID116587669
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H25NO2/c1-4-5-18-16-11-20-10-15(16)17(19)9-14-7-12(2)6-13(3)8-14/h6-8,15-16,18H,4-5,9-11H2,1-3H3
InChIKeyUPIJEFLOLGURPL-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256169
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587859
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587763
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 116587669) is 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is UPIJEFLOLGURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-18-16-11-20-10-15(16)17(19)9-14-7-12(2)6-13(3)8-14/h6-8,15-16,18H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).