1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

C21H25NO2 — CID 139636623

IUPAC1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Cc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C21H25NO2/c1-21(2,22-12-14-24-15-13-22)20(23)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyFSPLXPFTIAGCCG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 139636623) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID139636623
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Cc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C21H25NO2/c1-21(2,22-12-14-24-15-13-22)20(23)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyFSPLXPFTIAGCCG-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
CID 165164955
1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 22929010
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylbutanedioic acid
CID 144999377
2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879415
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 139636623) is 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(Cc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is FSPLXPFTIAGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,22-12-14-24-15-13-22)20(23)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 139636623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).