3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

C21H25NO4 — CID 110673887

IUPAC3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-24-18-7-3-16(4-8-18)20(17-5-9-19(25-2)10-6-17)15-21(23)22-11-13-26-14-12-22/h3-10,20H,11-15H2,1-2H3
InChIKeyUOBQRGBPACFQBR-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.08
Rot. Bonds6

About 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 110673887) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID110673887
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-24-18-7-3-16(4-8-18)20(17-5-9-19(25-2)10-6-17)15-21(23)22-11-13-26-14-12-22/h3-10,20H,11-15H2,1-2H3
InChIKeyUOBQRGBPACFQBR-UHFFFAOYSA-N
XLogP3.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
CID 25046566
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 45248772
5,6,7-trihydroxy-8-[(1R)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99996288
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (CID 110673887) is 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is COc1ccc(C(CC(=O)N2CCOCC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is UOBQRGBPACFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-7-3-16(4-8-18)20(17-5-9-19(25-2)10-6-17)15-21(23)22-11-13-26-14-12-22/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 355.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).