[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone

C17H19NO4 — CID 6459121

IUPAC[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(OCc2ccc(C(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C17H19NO4/c1-13-3-2-4-14(11-13)21-12-15-5-6-16(22-15)17(19)18-7-9-20-10-8-18/h2-6,11H,7-10,12H2,1H3
InChIKeyDDRJHUAHVLVSQJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.64
Rot. Bonds4

About [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 6459121) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID6459121
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(OCc2ccc(C(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C17H19NO4/c1-13-3-2-4-14(11-13)21-12-15-5-6-16(22-15)17(19)18-7-9-20-10-8-18/h2-6,11H,7-10,12H2,1H3
InChIKeyDDRJHUAHVLVSQJ-UHFFFAOYSA-N
XLogP2.64
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone (CID 6459121) is [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone is Cc1cccc(OCc2ccc(C(=O)N3CCOCC3)o2)c1.
What is the InChIKey of [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DDRJHUAHVLVSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-13-3-2-4-14(11-13)21-12-15-5-6-16(22-15)17(19)18-7-9-20-10-8-18/h2-6,11H,7-10,12H2,1H3.
What are the key properties of [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 301.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylphenoxy)methyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6459121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).