N,N,2,4,6-pentamethylbenzamide

C12H17NO — CID 11298452

IUPACN,N,2,4,6-pentamethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-6-9(2)11(10(3)7-8)12(14)13(4)5/h6-7H,1-5H3
InChIKeyWEVSWKCMKXOKBQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.31
Rot. Bonds1

About N,N,2,4,6-pentamethylbenzamide

N,N,2,4,6-pentamethylbenzamide (PubChem CID 11298452) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N,2,4,6-pentamethylbenzamide.

Molecular Properties

Compound NameN,N,2,4,6-pentamethylbenzamide
PubChem CID11298452
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N,2,4,6-pentamethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-6-9(2)11(10(3)7-8)12(14)13(4)5/h6-7H,1-5H3
InChIKeyWEVSWKCMKXOKBQ-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,2,4,6-pentamethylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2,4,6-pentamethylbenzamide?
The IUPAC name of N,N,2,4,6-pentamethylbenzamide (CID 11298452) is N,N,2,4,6-pentamethylbenzamide.
What is the SMILES notation for N,N,2,4,6-pentamethylbenzamide?
The canonical SMILES for N,N,2,4,6-pentamethylbenzamide is Cc1cc(C)c(C(=O)N(C)C)c(C)c1.
What is the InChIKey of N,N,2,4,6-pentamethylbenzamide?
The InChIKey is WEVSWKCMKXOKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-9(2)11(10(3)7-8)12(14)13(4)5/h6-7H,1-5H3.
What are the key properties of N,N,2,4,6-pentamethylbenzamide?
N,N,2,4,6-pentamethylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4,6-pentamethylbenzamide is sourced from PubChem (CID 11298452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).