N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C19H24BNO4 — CID 75486487

IUPACN-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCc1cc(C(=O)NCc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H24BNO4/c1-13-11-14(17(22)21-12-15-7-6-10-23-15)8-9-16(13)20-24-18(2,3)19(4,5)25-20/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyNYVLIMSSYQPHAR-UHFFFAOYSA-N
MW341.22 g/mol
LogP2.82
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 75486487) has the molecular formula C19H24BNO4 and a molecular weight of 341.22 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID75486487
Molecular FormulaC19H24BNO4
Molecular Weight341.22 g/mol
Exact Mass341.18
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCc1cc(C(=O)NCc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H24BNO4/c1-13-11-14(17(22)21-12-15-7-6-10-23-15)8-9-16(13)20-24-18(2,3)19(4,5)25-20/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyNYVLIMSSYQPHAR-UHFFFAOYSA-N
XLogP2.82
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 53278122
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 75486487) is N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is Cc1cc(C(=O)NCc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is NYVLIMSSYQPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO4/c1-13-11-14(17(22)21-12-15-7-6-10-23-15)8-9-16(13)20-24-18(2,3)19(4,5)25-20/h6-11H,12H2,1-5H3,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 341.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 75486487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).