N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

C19H24BNO4 — CID 75486565

IUPACN-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCC1(C)OB(c2ccc(C(=O)NCCO)c3ccccc23)OC1(C)C
InChIInChI=1S/C19H24BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-9-15(17(23)21-11-12-22)13-7-5-6-8-14(13)16/h5-10,22H,11-12H2,1-4H3,(H,21,23)
InChIKeyZQQKGZAEXMHPCM-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.86
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (PubChem CID 75486565) has the molecular formula C19H24BNO4 and a molecular weight of 341.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
PubChem CID75486565
Molecular FormulaC19H24BNO4
Molecular Weight341.22 g/mol
Exact Mass341.18
IUPAC NameN-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCC1(C)OB(c2ccc(C(=O)NCCO)c3ccccc23)OC1(C)C
InChIInChI=1S/C19H24BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-9-15(17(23)21-11-12-22)13-7-5-6-8-14(13)16/h5-10,22H,11-12H2,1-4H3,(H,21,23)
InChIKeyZQQKGZAEXMHPCM-UHFFFAOYSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (CID 75486565) is N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is CC1(C)OB(c2ccc(C(=O)NCCO)c3ccccc23)OC1(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The InChIKey is ZQQKGZAEXMHPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-9-15(17(23)21-11-12-22)13-7-5-6-8-14(13)16/h5-10,22H,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide has a molecular weight of 341.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 75486565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).