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

C18H26BNO3 — CID 57415694

IUPACN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)NC3CCCC3)cc2)OC1(C)C
InChIInChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21)
InChIKeyZEYNCUYCJKNKER-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.66
Rot. Bonds3

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

N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 57415694) has the molecular formula C18H26BNO3 and a molecular weight of 315.22 g/mol. Its IUPAC name is N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID57415694
Molecular FormulaC18H26BNO3
Molecular Weight315.22 g/mol
Exact Mass315.20
IUPAC NameN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)NC3CCCC3)cc2)OC1(C)C
InChIInChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21)
InChIKeyZEYNCUYCJKNKER-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 57415694) is N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC1(C)OB(c2ccc(C(=O)NC3CCCC3)cc2)OC1(C)C.
What is the InChIKey of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is ZEYNCUYCJKNKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21).
What are the key properties of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 315.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 57415694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).