N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide

C16H25BN2O3 — CID 10447730

IUPACN-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(B2OCCCO2)cc1
InChIInChI=1S/C16H25BN2O3/c1-3-19(4-2)11-10-18-16(20)14-6-8-15(9-7-14)17-21-12-5-13-22-17/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyIYQXVZARNKZJSB-UHFFFAOYSA-N
MW304.20 g/mol
LogP0.89
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide (PubChem CID 10447730) has the molecular formula C16H25BN2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide
PubChem CID10447730
Molecular FormulaC16H25BN2O3
Molecular Weight304.20 g/mol
Exact Mass304.20
IUPAC NameN-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(B2OCCCO2)cc1
InChIInChI=1S/C16H25BN2O3/c1-3-19(4-2)11-10-18-16(20)14-6-8-15(9-7-14)17-21-12-5-13-22-17/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyIYQXVZARNKZJSB-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 50.89
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

4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide (CID 10447730) is N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide is CCN(CC)CCNC(=O)c1ccc(B2OCCCO2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide?
The InChIKey is IYQXVZARNKZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3/c1-3-19(4-2)11-10-18-16(20)14-6-8-15(9-7-14)17-21-12-5-13-22-17/h6-9H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide?
N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide has a molecular weight of 304.20 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide is sourced from PubChem (CID 10447730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).