4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one

C23H29NO2 — CID 54071748

IUPAC4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c25-23(22-10-2-1-3-11-22)14-6-12-20-8-4-5-9-21(20)13-7-15-24-16-18-26-19-17-24/h1-5,8-11H,6-7,12-19H2
InChIKeyMGXYYMRHRUHEQE-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.16
Rot. Bonds9

About 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one

4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one (PubChem CID 54071748) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
PubChem CID54071748
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c25-23(22-10-2-1-3-11-22)14-6-12-20-8-4-5-9-21(20)13-7-15-24-16-18-26-19-17-24/h1-5,8-11H,6-7,12-19H2
InChIKeyMGXYYMRHRUHEQE-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone
CID 143885744
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one?
The IUPAC name of 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one (CID 54071748) is 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one?
The canonical SMILES for 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one is O=C(CCCc1ccccc1CCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one?
The InChIKey is MGXYYMRHRUHEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-23(22-10-2-1-3-11-22)14-6-12-20-8-4-5-9-21(20)13-7-15-24-16-18-26-19-17-24/h1-5,8-11H,6-7,12-19H2.
What are the key properties of 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one?
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one has a molecular weight of 351.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one is sourced from PubChem (CID 54071748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).