N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide

C15H17NO4 — CID 103956281

IUPACN-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H17NO4/c1-10(4-6-12-3-2-8-20-12)16-15(19)11-5-7-13(17)14(18)9-11/h2-3,5,7-10,17-18H,4,6H2,1H3,(H,16,19)
InChIKeyPSRHDMUBXNDKGR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.44
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide

N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide (PubChem CID 103956281) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
PubChem CID103956281
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H17NO4/c1-10(4-6-12-3-2-8-20-12)16-15(19)11-5-7-13(17)14(18)9-11/h2-3,5,7-10,17-18H,4,6H2,1H3,(H,16,19)
InChIKeyPSRHDMUBXNDKGR-UHFFFAOYSA-N
XLogP2.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide (CID 103956281) is N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide is CC(CCc1ccco1)NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide?
The InChIKey is PSRHDMUBXNDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(4-6-12-3-2-8-20-12)16-15(19)11-5-7-13(17)14(18)9-11/h2-3,5,7-10,17-18H,4,6H2,1H3,(H,16,19).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide?
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide has a molecular weight of 275.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).