2-amino-N,N-diethyl-3,4-dimethylbenzamide

C13H20N2O — CID 70049003

IUPAC2-amino-N,N-diethyl-3,4-dimethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(C)c1N
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)13(16)11-8-7-9(3)10(4)12(11)14/h7-8H,5-6,14H2,1-4H3
InChIKeyPVYWRJVVDDBYEZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-N,N-diethyl-3,4-dimethylbenzamide

2-amino-N,N-diethyl-3,4-dimethylbenzamide (PubChem CID 70049003) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-3,4-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-3,4-dimethylbenzamide
PubChem CID70049003
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N,N-diethyl-3,4-dimethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(C)c1N
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)13(16)11-8-7-9(3)10(4)12(11)14/h7-8H,5-6,14H2,1-4H3
InChIKeyPVYWRJVVDDBYEZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558
3-amino-1-(2-amino-3,4-dimethylphenyl)propan-1-one;formic acid
CID 171814255
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-amino-N,N-diethyl-5-methylthiophene-3-carboxamide
CID 43367307
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-3,4-dimethylbenzamide?
The IUPAC name of 2-amino-N,N-diethyl-3,4-dimethylbenzamide (CID 70049003) is 2-amino-N,N-diethyl-3,4-dimethylbenzamide.
What is the SMILES notation for 2-amino-N,N-diethyl-3,4-dimethylbenzamide?
The canonical SMILES for 2-amino-N,N-diethyl-3,4-dimethylbenzamide is CCN(CC)C(=O)c1ccc(C)c(C)c1N.
What is the InChIKey of 2-amino-N,N-diethyl-3,4-dimethylbenzamide?
The InChIKey is PVYWRJVVDDBYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)11-8-7-9(3)10(4)12(11)14/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 2-amino-N,N-diethyl-3,4-dimethylbenzamide?
2-amino-N,N-diethyl-3,4-dimethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.37, 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-diethyl-3,4-dimethylbenzamide is sourced from PubChem (CID 70049003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).