1-morpholin-4-yl-2-(4-pentylphenyl)ethanone

C17H25NO2 — CID 3910107

IUPAC1-morpholin-4-yl-2-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-15-6-8-16(9-7-15)14-17(19)18-10-12-20-13-11-18/h6-9H,2-5,10-14H2,1H3
InChIKeyIVZKSOPEPJIOHL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.82
Rot. Bonds6

About 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone

1-morpholin-4-yl-2-(4-pentylphenyl)ethanone (PubChem CID 3910107) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-pentylphenyl)ethanone
PubChem CID3910107
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-morpholin-4-yl-2-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-15-6-8-16(9-7-15)14-17(19)18-10-12-20-13-11-18/h6-9H,2-5,10-14H2,1H3
InChIKeyIVZKSOPEPJIOHL-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-morpholin-4-yl-2-(4-pentylphenyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone (CID 3910107) is 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone is CCCCCc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone?
The InChIKey is IVZKSOPEPJIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-4-5-15-6-8-16(9-7-15)14-17(19)18-10-12-20-13-11-18/h6-9H,2-5,10-14H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone?
1-morpholin-4-yl-2-(4-pentylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-pentylphenyl)ethanone is sourced from PubChem (CID 3910107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).