N,N-diethyl-2,5-dimethylbenzamide

C13H19NO — CID 15621070

IUPACN,N-diethyl-2,5-dimethylbenzamide
SMILESCCN(CC)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-5-14(6-2)13(15)12-9-10(3)7-8-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyTWXANGNDDHVUIU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.79
Rot. Bonds3

About N,N-diethyl-2,5-dimethylbenzamide

N,N-diethyl-2,5-dimethylbenzamide (PubChem CID 15621070) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-diethyl-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2,5-dimethylbenzamide
PubChem CID15621070
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,N-diethyl-2,5-dimethylbenzamide
SMILESCCN(CC)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-5-14(6-2)13(15)12-9-10(3)7-8-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyTWXANGNDDHVUIU-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-2,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-methyl-5-(6-methylnaphthalen-2-yl)benzamide
CID 123837430
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
[2-(diethylcarbamoyl)-4-methylphenyl]boronic acid
CID 15772804
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N,N-diethyl-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112466
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-dimethylbenzamide?
The IUPAC name of N,N-diethyl-2,5-dimethylbenzamide (CID 15621070) is N,N-diethyl-2,5-dimethylbenzamide.
What is the SMILES notation for N,N-diethyl-2,5-dimethylbenzamide?
The canonical SMILES for N,N-diethyl-2,5-dimethylbenzamide is CCN(CC)C(=O)c1cc(C)ccc1C.
What is the InChIKey of N,N-diethyl-2,5-dimethylbenzamide?
The InChIKey is TWXANGNDDHVUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-14(6-2)13(15)12-9-10(3)7-8-11(12)4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,5-dimethylbenzamide?
N,N-diethyl-2,5-dimethylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-dimethylbenzamide is sourced from PubChem (CID 15621070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).