1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one

C16H25NO2 — CID 113499699

IUPAC1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)CCC(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-5-14-6-8-15(9-7-14)16(19)13(3)17(4)11-10-12(2)18/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyRJJWNUJFJQGDQA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds7

About 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one

1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one (PubChem CID 113499699) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
PubChem CID113499699
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)CCC(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-5-14-6-8-15(9-7-14)16(19)13(3)17(4)11-10-12(2)18/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyRJJWNUJFJQGDQA-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one (CID 113499699) is 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one is CCc1ccc(C(=O)C(C)N(C)CCC(C)O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one?
The InChIKey is RJJWNUJFJQGDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14-6-8-15(9-7-14)16(19)13(3)17(4)11-10-12(2)18/h6-9,12-13,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one?
1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one is sourced from PubChem (CID 113499699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).