1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one

C18H27NO2 — CID 61434392

IUPAC1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one
SMILESCCN(CC1CCCO1)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H27NO2/c1-5-19(12-16-7-6-10-21-16)15(4)18(20)17-11-13(2)8-9-14(17)3/h8-9,11,15-16H,5-7,10,12H2,1-4H3
InChIKeyUDOYEAQZDHYWOC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one

1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one (PubChem CID 61434392) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one
PubChem CID61434392
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one
SMILESCCN(CC1CCCO1)C(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H27NO2/c1-5-19(12-16-7-6-10-21-16)15(4)18(20)17-11-13(2)8-9-14(17)3/h8-9,11,15-16H,5-7,10,12H2,1-4H3
InChIKeyUDOYEAQZDHYWOC-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 82982523
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)propan-1-one
CID 106497062
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one (CID 61434392) is 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one is CCN(CC1CCCO1)C(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one?
The InChIKey is UDOYEAQZDHYWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-19(12-16-7-6-10-21-16)15(4)18(20)17-11-13(2)8-9-14(17)3/h8-9,11,15-16H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one?
1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 61434392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).