N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid

C15H25BN2O4 — CID 143334744

IUPACN-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
SMILESCB(O)O.CCCCN(C)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2.CH5BO2/c1-3-4-10-16(2)13(17)11-15-14(18)12-8-6-5-7-9-12;1-2(3)4/h5-9H,3-4,10-11H2,1-2H3,(H,15,18);3-4H,1H3
InChIKeyHIECCNQLQKAXEE-UHFFFAOYSA-N
MW308.19 g/mol
LogP0.76
Rot. Bonds6

About N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid

N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid (PubChem CID 143334744) has the molecular formula C15H25BN2O4 and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
PubChem CID143334744
Molecular FormulaC15H25BN2O4
Molecular Weight308.19 g/mol
Exact Mass308.19
IUPAC NameN-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
SMILESCB(O)O.CCCCN(C)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2.CH5BO2/c1-3-4-10-16(2)13(17)11-15-14(18)12-8-6-5-7-9-12;1-2(3)4/h5-9H,3-4,10-11H2,1-2H3,(H,15,18);3-4H,1H3
InChIKeyHIECCNQLQKAXEE-UHFFFAOYSA-N
XLogP0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112995368
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid?
The IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid (CID 143334744) is N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid.
What is the SMILES notation for N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid?
The canonical SMILES for N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid is CB(O)O.CCCCN(C)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid?
The InChIKey is HIECCNQLQKAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.CH5BO2/c1-3-4-10-16(2)13(17)11-15-14(18)12-8-6-5-7-9-12;1-2(3)4/h5-9H,3-4,10-11H2,1-2H3,(H,15,18);3-4H,1H3.
What are the key properties of N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid?
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid has a molecular weight of 308.19 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid is sourced from PubChem (CID 143334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).