N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide

C18H23NO4 — CID 71804529

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccccc2C)c(C)o1
InChIInChI=1S/C18H23NO4/c1-12-6-4-5-7-17(12)22-11-18(21)19-9-8-16(20)15-10-13(2)23-14(15)3/h4-7,10,16,20H,8-9,11H2,1-3H3,(H,19,21)
InChIKeyVKBRTFLVHSYMRH-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.82
Rot. Bonds7

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide (PubChem CID 71804529) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide
PubChem CID71804529
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccccc2C)c(C)o1
InChIInChI=1S/C18H23NO4/c1-12-6-4-5-7-17(12)22-11-18(21)19-9-8-16(20)15-10-13(2)23-14(15)3/h4-7,10,16,20H,8-9,11H2,1-3H3,(H,19,21)
InChIKeyVKBRTFLVHSYMRH-UHFFFAOYSA-N
XLogP2.82
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide (CID 71804529) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide is Cc1cc(C(O)CCNC(=O)COc2ccccc2C)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is VKBRTFLVHSYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-6-4-5-7-17(12)22-11-18(21)19-9-8-16(20)15-10-13(2)23-14(15)3/h4-7,10,16,20H,8-9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 317.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 71804529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).