morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone

C25H33NO3 — CID 3399674

IUPACmorpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
SMILESCCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H33NO3/c1-2-3-4-5-6-7-18-29-24-14-12-22(13-15-24)21-8-10-23(11-9-21)25(27)26-16-19-28-20-17-26/h8-15H,2-7,16-20H2,1H3
InChIKeyBFWSABNUHRRFJG-UHFFFAOYSA-N
MW395.54 g/mol
LogP5.57
Rot. Bonds10

About morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone

morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone (PubChem CID 3399674) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
PubChem CID3399674
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Namemorpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
SMILESCCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H33NO3/c1-2-3-4-5-6-7-18-29-24-14-12-22(13-15-24)21-8-10-23(11-9-21)25(27)26-16-19-28-20-17-26/h8-15H,2-7,16-20H2,1H3
InChIKeyBFWSABNUHRRFJG-UHFFFAOYSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
CID 4950894
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
CID 119251411
[4-[4-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxypiperidine-1-carbonyl]phenyl] 4-dodecoxybenzoate
CID 102208723

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone (CID 3399674) is morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone is CCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone?
The InChIKey is BFWSABNUHRRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-2-3-4-5-6-7-18-29-24-14-12-22(13-15-24)21-8-10-23(11-9-21)25(27)26-16-19-28-20-17-26/h8-15H,2-7,16-20H2,1H3.
What are the key properties of morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone?
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone has a molecular weight of 395.54 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone is sourced from PubChem (CID 3399674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).