(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone

C21H27NO4 — CID 2941555

IUPAC(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)CC(C)O1
InChIInChI=1S/C21H27NO4/c1-14(2)17-5-7-18(8-6-17)24-13-19-9-10-20(26-19)21(23)22-11-15(3)25-16(4)12-22/h5-10,14-16H,11-13H2,1-4H3
InChIKeyQQEPXQAXLGSQQN-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.23
Rot. Bonds5

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

(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 2941555) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
PubChem CID2941555
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)CC(C)O1
InChIInChI=1S/C21H27NO4/c1-14(2)17-5-7-18(8-6-17)24-13-19-9-10-20(26-19)21(23)22-11-15(3)25-16(4)12-22/h5-10,14-16H,11-13H2,1-4H3
InChIKeyQQEPXQAXLGSQQN-UHFFFAOYSA-N
XLogP4.23
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

A 317920
CID 10389213
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Furan-2-carboxamide deriv., 19
CID 44236905
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
5-[(4-chloro-3-methylphenoxy)methyl]-N,N-diethylfuran-2-carboxamide
CID 892508
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2166253
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 2942268

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone (CID 2941555) is (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone is CC1CN(C(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is QQEPXQAXLGSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-14(2)17-5-7-18(8-6-17)24-13-19-9-10-20(26-19)21(23)22-11-15(3)25-16(4)12-22/h5-10,14-16H,11-13H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 2941555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).