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

C17H26BNO4 — CID 146170341

IUPACN-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCOCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C17H26BNO4/c1-12-13(15(20)19-10-11-21-6)8-7-9-14(12)18-22-16(2,3)17(4,5)23-18/h7-9H,10-11H2,1-6H3,(H,19,20)
InChIKeyAECYMLCFADTNCG-UHFFFAOYSA-N
MW319.21 g/mol
LogP1.67
Rot. Bonds5

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

N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 146170341) has the molecular formula C17H26BNO4 and a molecular weight of 319.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID146170341
Molecular FormulaC17H26BNO4
Molecular Weight319.21 g/mol
Exact Mass319.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCOCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C
InChIInChI=1S/C17H26BNO4/c1-12-13(15(20)19-10-11-21-6)8-7-9-14(12)18-22-16(2,3)17(4,5)23-18/h7-9H,10-11H2,1-6H3,(H,19,20)
InChIKeyAECYMLCFADTNCG-UHFFFAOYSA-N
XLogP1.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
CID 168654330
methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 67086691
methyl 2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 71039272
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
CID 21253978
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 168637570
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethylcarbamic acid
CID 141435206
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 146170341) is N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is COCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is AECYMLCFADTNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNO4/c1-12-13(15(20)19-10-11-21-6)8-7-9-14(12)18-22-16(2,3)17(4,5)23-18/h7-9H,10-11H2,1-6H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 319.21 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 146170341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).