N,N-diethylbenzamide

C11H15NO — CID 15542

IUPACN,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyJLNGEXDJAQASHD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.17
Rot. Bonds3

About N,N-diethylbenzamide

N,N-diethylbenzamide (PubChem CID 15542) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N,N-diethylbenzamide.

Molecular Properties

Compound NameN,N-diethylbenzamide
PubChem CID15542
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyJLNGEXDJAQASHD-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbenzamide?
The IUPAC name of N,N-diethylbenzamide (CID 15542) is N,N-diethylbenzamide.
What is the SMILES notation for N,N-diethylbenzamide?
The canonical SMILES for N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1.
What is the InChIKey of N,N-diethylbenzamide?
The InChIKey is JLNGEXDJAQASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethylbenzamide?
N,N-diethylbenzamide has a molecular weight of 177.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbenzamide is sourced from PubChem (CID 15542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).