furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone

C18H21NO3 — CID 110707020

IUPACfuran-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccco2)CC(CCc2ccccc2)O1
InChIInChI=1S/C18H21NO3/c1-14-12-19(18(20)17-8-5-11-21-17)13-16(22-14)10-9-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyURUPAUKZLBUUFN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds4

About furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone

furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone (PubChem CID 110707020) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone
PubChem CID110707020
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namefuran-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccco2)CC(CCc2ccccc2)O1
InChIInChI=1S/C18H21NO3/c1-14-12-19(18(20)17-8-5-11-21-17)13-16(22-14)10-9-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyURUPAUKZLBUUFN-UHFFFAOYSA-N
XLogP3.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone?
The IUPAC name of furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone (CID 110707020) is furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone is CC1CN(C(=O)c2ccco2)CC(CCc2ccccc2)O1.
What is the InChIKey of furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone?
The InChIKey is URUPAUKZLBUUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-12-19(18(20)17-8-5-11-21-17)13-16(22-14)10-9-15-6-3-2-4-7-15/h2-8,11,14,16H,9-10,12-13H2,1H3.
What are the key properties of furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone?
furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110707020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).