N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide

C16H19NO4 — CID 79671902

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccco2)cc1O
InChIInChI=1S/C16H19NO4/c1-11(5-7-13-4-3-9-21-13)17-16(19)12-6-8-15(20-2)14(18)10-12/h3-4,6,8-11,18H,5,7H2,1-2H3,(H,17,19)
InChIKeyDXPOTVYTHPFDBP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide

N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide (PubChem CID 79671902) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
PubChem CID79671902
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccco2)cc1O
InChIInChI=1S/C16H19NO4/c1-11(5-7-13-4-3-9-21-13)17-16(19)12-6-8-15(20-2)14(18)10-12/h3-4,6,8-11,18H,5,7H2,1-2H3,(H,17,19)
InChIKeyDXPOTVYTHPFDBP-UHFFFAOYSA-N
XLogP2.74
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide
CID 55363883
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide (CID 79671902) is N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(C)CCc2ccco2)cc1O.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is DXPOTVYTHPFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(5-7-13-4-3-9-21-13)17-16(19)12-6-8-15(20-2)14(18)10-12/h3-4,6,8-11,18H,5,7H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide?
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 289.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 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-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79671902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).