5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C18H19NO4 — CID 18160218

IUPAC5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C18H19NO4/c1-12(20)13-4-6-14(7-5-13)16-8-9-17(23-16)18(21)19-11-15-3-2-10-22-15/h4-9,15H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyIFEJEYFRYKCQOA-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.06
Rot. Bonds5

About 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 18160218) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID18160218
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C18H19NO4/c1-12(20)13-4-6-14(7-5-13)16-8-9-17(23-16)18(21)19-11-15-3-2-10-22-15/h4-9,15H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyIFEJEYFRYKCQOA-UHFFFAOYSA-N
XLogP3.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

A 317920
CID 10389213
CL82198
CID 2777
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CID 674888
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CID 660372
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-benzylfuran-2-carboxamide
CID 347531
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
5-(3-ethoxyphenyl)-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 118225927
4-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoic acid
CID 118225963
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 18160218) is 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCC3CCCO3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is IFEJEYFRYKCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(20)13-4-6-14(7-5-13)16-8-9-17(23-16)18(21)19-11-15-3-2-10-22-15/h4-9,15H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 18160218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).