4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide

C19H23NO3 — CID 91781260

IUPAC4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESO=C(NCCCCC1CCCO1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H23NO3/c21-19(20-12-2-1-5-17-6-3-13-22-17)16-10-8-15(9-11-16)18-7-4-14-23-18/h4,7-11,14,17H,1-3,5-6,12-13H2,(H,20,21)
InChIKeyXTBLQBSGNIZFIK-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.03
Rot. Bonds7

About 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide

4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide (PubChem CID 91781260) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
PubChem CID91781260
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESO=C(NCCCCC1CCCO1)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H23NO3/c21-19(20-12-2-1-5-17-6-3-13-22-17)16-10-8-15(9-11-16)18-7-4-14-23-18/h4,7-11,14,17H,1-3,5-6,12-13H2,(H,20,21)
InChIKeyXTBLQBSGNIZFIK-UHFFFAOYSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
CID 97306681
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The IUPAC name of 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide (CID 91781260) is 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide is O=C(NCCCCC1CCCO1)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The InChIKey is XTBLQBSGNIZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-19(20-12-2-1-5-17-6-3-13-22-17)16-10-8-15(9-11-16)18-7-4-14-23-18/h4,7-11,14,17H,1-3,5-6,12-13H2,(H,20,21).
What are the key properties of 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide?
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide is sourced from PubChem (CID 91781260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).