benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate

C24H26BNO4 — CID 118991831

IUPACbenzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate
SMILESCC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)OC1(C)C
InChIInChI=1S/C24H26BNO4/c1-23(2)24(3,4)30-25(29-23)20-14-15-21(19-13-9-8-12-18(19)20)26-22(27)28-16-17-10-6-5-7-11-17/h5-15H,16H2,1-4H3,(H,26,27)
InChIKeyVSWVMONVJYCRRF-UHFFFAOYSA-N
MW403.29 g/mol
LogP4.89
Rot. Bonds4

About benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate

benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate (PubChem CID 118991831) has the molecular formula C24H26BNO4 and a molecular weight of 403.29 g/mol. Its IUPAC name is benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate
PubChem CID118991831
Molecular FormulaC24H26BNO4
Molecular Weight403.29 g/mol
Exact Mass403.20
IUPAC Namebenzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate
SMILESCC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)OC1(C)C
InChIInChI=1S/C24H26BNO4/c1-23(2)24(3,4)30-25(29-23)20-14-15-21(19-13-9-8-12-18(19)20)26-22(27)28-16-17-10-6-5-7-11-17/h5-15H,16H2,1-4H3,(H,26,27)
InChIKeyVSWVMONVJYCRRF-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 54.89
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

benzyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 119009610
benzyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophen-5-yl]carbamate
CID 167718191
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl N-[4-(hydroxymethyl)naphthalen-1-yl]carbamate
CID 71658563
benzyl N-[(1R)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
CID 70805856
benzyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 162340793
benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
CID 135394964
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
CID 22171326
benzyl N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]carbamate
CID 169109649
benzyl N-[3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]oxetan-3-yl]carbamate
CID 68672477
benzyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 162725056
benzyl 4-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate
CID 170991882
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate?
The IUPAC name of benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate (CID 118991831) is benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate.
What is the SMILES notation for benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate?
The canonical SMILES for benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate is CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)OC1(C)C.
What is the InChIKey of benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate?
The InChIKey is VSWVMONVJYCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BNO4/c1-23(2)24(3,4)30-25(29-23)20-14-15-21(19-13-9-8-12-18(19)20)26-22(27)28-16-17-10-6-5-7-11-17/h5-15H,16H2,1-4H3,(H,26,27).
What are the key properties of benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate?
benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate has a molecular weight of 403.29 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbamate is sourced from PubChem (CID 118991831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).