3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one

C19H23NO4 — CID 56811975

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CCOCC3C)o2)cc1
InChIInChI=1S/C19H23NO4/c1-14-13-23-12-11-20(14)19(21)10-8-17-7-9-18(24-17)15-3-5-16(22-2)6-4-15/h3-7,9,14H,8,10-13H2,1-2H3
InChIKeyLSDGXADLWSKTHT-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.14
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one

3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 56811975) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID56811975
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CCOCC3C)o2)cc1
InChIInChI=1S/C19H23NO4/c1-14-13-23-12-11-20(14)19(21)10-8-17-7-9-18(24-17)15-3-5-16(22-2)6-4-15/h3-7,9,14H,8,10-13H2,1-2H3
InChIKeyLSDGXADLWSKTHT-UHFFFAOYSA-N
XLogP3.14
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
CID 110309824
1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 56811973
3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 24524950
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 46462462
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 94647439
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 24524853
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one (CID 56811975) is 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one is COc1ccc(-c2ccc(CCC(=O)N3CCOCC3C)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is LSDGXADLWSKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14-13-23-12-11-20(14)19(21)10-8-17-7-9-18(24-17)15-3-5-16(22-2)6-4-15/h3-7,9,14H,8,10-13H2,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one?
3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 56811975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).