2-amino-N,N-diethylbenzamide

C11H16N2O — CID 10104045

IUPAC2-amino-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3
InChIKeyKHEWLEXQLKPLGN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-N,N-diethylbenzamide

2-amino-N,N-diethylbenzamide (PubChem CID 10104045) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-diethylbenzamide
PubChem CID10104045
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3
InChIKeyKHEWLEXQLKPLGN-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylbenzamide?
The IUPAC name of 2-amino-N,N-diethylbenzamide (CID 10104045) is 2-amino-N,N-diethylbenzamide.
What is the SMILES notation for 2-amino-N,N-diethylbenzamide?
The canonical SMILES for 2-amino-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N,N-diethylbenzamide?
The InChIKey is KHEWLEXQLKPLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylbenzamide?
2-amino-N,N-diethylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylbenzamide is sourced from PubChem (CID 10104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).