N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C20H24BNO4 — CID 71306540

IUPACN-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)NOCc3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
InChIKeyXECXLZBBBRYLFW-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.85
Rot. Bonds5

About N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 71306540) has the molecular formula C20H24BNO4 and a molecular weight of 353.23 g/mol. Its IUPAC name is N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID71306540
Molecular FormulaC20H24BNO4
Molecular Weight353.23 g/mol
Exact Mass353.18
IUPAC NameN-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)NOCc3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
InChIKeyXECXLZBBBRYLFW-UHFFFAOYSA-N
XLogP2.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 252925
CID 252925
CID 2366824
CID 2366824
CID 4776030
CID 4776030
CID 19582487
CID 19582487
CID 155510762
CID 155510762
CID 155529646
CID 155529646
CID 154238
CID 154238
CID 9227227
CID 9227227
CID 3025742
CID 3025742
CID 164615741
CID 164615741
CID 793479
CID 793479
CID 58989797
CID 58989797

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 71306540) is N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC1(C)OB(c2ccc(C(=O)NOCc3ccccc3)cc2)OC1(C)C.
What is the InChIKey of N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is XECXLZBBBRYLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23).
What are the key properties of N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 353.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 71306540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).