N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

C24H26BNO3 — CID 140776472

IUPACN-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)cc1
InChIInChI=1S/C24H26BNO3/c1-16-9-12-19(13-10-16)26-22(27)21-8-6-7-17-15-18(11-14-20(17)21)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27)
InChIKeyRLPSKENFPVVJRS-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.70
Rot. Bonds3

About N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (PubChem CID 140776472) has the molecular formula C24H26BNO3 and a molecular weight of 387.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
PubChem CID140776472
Molecular FormulaC24H26BNO3
Molecular Weight387.29 g/mol
Exact Mass387.20
IUPAC NameN-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)cc1
InChIInChI=1S/C24H26BNO3/c1-16-9-12-19(13-10-16)26-22(27)21-8-6-7-17-15-18(11-14-20(17)21)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27)
InChIKeyRLPSKENFPVVJRS-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 140776480
N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 169074886
N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 57415689
1-(3,4-dimethylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 139592799
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide
CID 143173959
ethane;(4-methylphenyl)methyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 171823999
4-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline
CID 131399044
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
2,2-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 70976320
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (CID 140776472) is N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The InChIKey is RLPSKENFPVVJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BNO3/c1-16-9-12-19(13-10-16)26-22(27)21-8-6-7-17-15-18(11-14-20(17)21)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27).
What are the key properties of N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide has a molecular weight of 387.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 140776472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).