N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C18H23NO4 — CID 109388934

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)Oc2cccc(CO)c2)c(C)o1
InChIInChI=1S/C18H23NO4/c1-11-8-17(13(3)22-11)12(2)19-18(21)14(4)23-16-7-5-6-15(9-16)10-20/h5-9,12,14,20H,10H2,1-4H3,(H,19,21)
InChIKeyJHKMKWJTERSNOD-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388934) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388934
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)Oc2cccc(CO)c2)c(C)o1
InChIInChI=1S/C18H23NO4/c1-11-8-17(13(3)22-11)12(2)19-18(21)14(4)23-16-7-5-6-15(9-16)10-20/h5-9,12,14,20H,10H2,1-4H3,(H,19,21)
InChIKeyJHKMKWJTERSNOD-UHFFFAOYSA-N
XLogP3.03
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109389051
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 106591306
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388934) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is Cc1cc(C(C)NC(=O)C(C)Oc2cccc(CO)c2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is JHKMKWJTERSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-8-17(13(3)22-11)12(2)19-18(21)14(4)23-16-7-5-6-15(9-16)10-20/h5-9,12,14,20H,10H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).