1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one

C18H29NO2 — CID 23635239

IUPAC1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one
SMILESCCCCCCc1ccc(C(=O)CCN(C)CCO)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3
InChIKeyGWWLXQSKLVUJGE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds11

About 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one

1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one (PubChem CID 23635239) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one
PubChem CID23635239
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one
SMILESCCCCCCc1ccc(C(=O)CCN(C)CCO)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3
InChIKeyGWWLXQSKLVUJGE-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one (CID 23635239) is 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one is CCCCCCc1ccc(C(=O)CCN(C)CCO)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one?
The InChIKey is GWWLXQSKLVUJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3.
What are the key properties of 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one?
1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 23635239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).