N,N,3,4-tetramethylbenzamide

C11H15NO — CID 788995

IUPACN,N,3,4-tetramethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(7-9(8)2)11(13)12(3)4/h5-7H,1-4H3
InChIKeyONWMZLSEOHDFNV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.01
Rot. Bonds1

About N,N,3,4-tetramethylbenzamide

N,N,3,4-tetramethylbenzamide (PubChem CID 788995) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N,N,3,4-tetramethylbenzamide.

Molecular Properties

Compound NameN,N,3,4-tetramethylbenzamide
PubChem CID788995
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN,N,3,4-tetramethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(7-9(8)2)11(13)12(3)4/h5-7H,1-4H3
InChIKeyONWMZLSEOHDFNV-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethylbenzamide?
The IUPAC name of N,N,3,4-tetramethylbenzamide (CID 788995) is N,N,3,4-tetramethylbenzamide.
What is the SMILES notation for N,N,3,4-tetramethylbenzamide?
The canonical SMILES for N,N,3,4-tetramethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1C.
What is the InChIKey of N,N,3,4-tetramethylbenzamide?
The InChIKey is ONWMZLSEOHDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-10(7-9(8)2)11(13)12(3)4/h5-7H,1-4H3.
What are the key properties of N,N,3,4-tetramethylbenzamide?
N,N,3,4-tetramethylbenzamide has a molecular weight of 177.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethylbenzamide is sourced from PubChem (CID 788995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).