N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide

C16H19NO3 — CID 46987628

IUPACN-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
SMILESCCCCN(Cc1ccco1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H19NO3/c1-2-3-9-17(12-15-8-5-10-20-15)16(19)13-6-4-7-14(18)11-13/h4-8,10-11,18H,2-3,9,12H2,1H3
InChIKeyNCSJLZHUZYXYPK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.43
Rot. Bonds6

About N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide

N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide (PubChem CID 46987628) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
PubChem CID46987628
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
SMILESCCCCN(Cc1ccco1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H19NO3/c1-2-3-9-17(12-15-8-5-10-20-15)16(19)13-6-4-7-14(18)11-13/h4-8,10-11,18H,2-3,9,12H2,1H3
InChIKeyNCSJLZHUZYXYPK-UHFFFAOYSA-N
XLogP3.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 50978093
N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923929
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide (CID 46987628) is N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide is CCCCN(Cc1ccco1)C(=O)c1cccc(O)c1.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide?
The InChIKey is NCSJLZHUZYXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-3-9-17(12-15-8-5-10-20-15)16(19)13-6-4-7-14(18)11-13/h4-8,10-11,18H,2-3,9,12H2,1H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide?
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide has a molecular weight of 273.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide is sourced from PubChem (CID 46987628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).