3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one

C19H23NO3 — CID 110309789

IUPAC3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(Cc2ccco2)C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C19H23NO3/c1-14-5-7-16(8-6-14)18(12-17-4-3-10-23-17)19(21)20-9-11-22-13-15(20)2/h3-8,10,15,18H,9,11-13H2,1-2H3
InChIKeyPVENMQDUPDKIST-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.16
Rot. Bonds4

About 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one

3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one (PubChem CID 110309789) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one
PubChem CID110309789
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(Cc2ccco2)C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C19H23NO3/c1-14-5-7-16(8-6-14)18(12-17-4-3-10-23-17)19(21)20-9-11-22-13-15(20)2/h3-8,10,15,18H,9,11-13H2,1-2H3
InChIKeyPVENMQDUPDKIST-UHFFFAOYSA-N
XLogP3.16
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
CID 110309794
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94151412
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110308392
3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one
CID 110631051
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide
CID 94176718

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one (CID 110309789) is 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one is Cc1ccc(C(Cc2ccco2)C(=O)N2CCOCC2C)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one?
The InChIKey is PVENMQDUPDKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-5-7-16(8-6-14)18(12-17-4-3-10-23-17)19(21)20-9-11-22-13-15(20)2/h3-8,10,15,18H,9,11-13H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one?
3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 110309789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).