5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one

C22H27NO2 — CID 90150489

IUPAC5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
SMILESCc1ccc(CCCCC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-18-6-8-19(9-7-18)4-2-3-5-22(24)20-10-12-21(13-11-20)23-14-16-25-17-15-23/h6-13H,2-5,14-17H2,1H3
InChIKeyCTNWFBCKUUZEOK-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.43
Rot. Bonds7

About 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one

5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one (PubChem CID 90150489) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
PubChem CID90150489
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
SMILESCc1ccc(CCCCC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-18-6-8-19(9-7-18)4-2-3-5-22(24)20-10-12-21(13-11-20)23-14-16-25-17-15-23/h6-13H,2-5,14-17H2,1H3
InChIKeyCTNWFBCKUUZEOK-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.43
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

4-(4-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one
CID 174252989
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 146309814
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 156564758
2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-morpholin-4-ylphenyl)ethanone
CID 87584773
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The IUPAC name of 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one (CID 90150489) is 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one.
What is the SMILES notation for 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The canonical SMILES for 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one is Cc1ccc(CCCCC(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The InChIKey is CTNWFBCKUUZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-18-6-8-19(9-7-18)4-2-3-5-22(24)20-10-12-21(13-11-20)23-14-16-25-17-15-23/h6-13H,2-5,14-17H2,1H3.
What are the key properties of 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one is sourced from PubChem (CID 90150489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).