1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one

C16H23NO2 — CID 82100237

IUPAC1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)16(18)12(2)17-11-15-5-4-10-19-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyAFHULCYKQPGACZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one

1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one (PubChem CID 82100237) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
PubChem CID82100237
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)16(18)12(2)17-11-15-5-4-10-19-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyAFHULCYKQPGACZ-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82258535
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
(2R)-4-(4-ethylanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]butanoic acid
CID 7166006
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
methyl 1-ethyl-3,5-dimethyl-4-[2-(oxolan-2-ylmethylamino)propanoyl]pyrrole-2-carboxylate
CID 42670525
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one (CID 82100237) is 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one is CCc1ccc(C(=O)C(C)NCC2CCCO2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
The InChIKey is AFHULCYKQPGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)16(18)12(2)17-11-15-5-4-10-19-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one?
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 82100237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).