(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone

C22H29NO5 — CID 25246431

IUPAC(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(OC)c1
InChIInChI=1S/C22H29NO5/c1-5-6-17-7-9-19(21(11-17)25-4)26-14-18-8-10-20(28-18)22(24)23-12-15(2)27-16(3)13-23/h7-11,15-16H,5-6,12-14H2,1-4H3
InChIKeyXETBTFKFBWTEHT-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.07
Rot. Bonds7

About (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 25246431) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone
PubChem CID25246431
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(OC)c1
InChIInChI=1S/C22H29NO5/c1-5-6-17-7-9-19(21(11-17)25-4)26-14-18-8-10-20(28-18)22(24)23-12-15(2)27-16(3)13-23/h7-11,15-16H,5-6,12-14H2,1-4H3
InChIKeyXETBTFKFBWTEHT-UHFFFAOYSA-N
XLogP4.07
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone (CID 25246431) is (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone is CCCc1ccc(OCc2ccc(C(=O)N3CC(C)OC(C)C3)o2)c(OC)c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is XETBTFKFBWTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-5-6-17-7-9-19(21(11-17)25-4)26-14-18-8-10-20(28-18)22(24)23-12-15(2)27-16(3)13-23/h7-11,15-16H,5-6,12-14H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 25246431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).