4-ethyl-N,N,3-trimethylbenzamide

C12H17NO — CID 150723672

IUPAC4-ethyl-N,N,3-trimethylbenzamide
SMILESCCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C12H17NO/c1-5-10-6-7-11(8-9(10)2)12(14)13(3)4/h6-8H,5H2,1-4H3
InChIKeyJQJKCJJUVMRLLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.26
Rot. Bonds2

About 4-ethyl-N,N,3-trimethylbenzamide

4-ethyl-N,N,3-trimethylbenzamide (PubChem CID 150723672) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-ethyl-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-ethyl-N,N,3-trimethylbenzamide
PubChem CID150723672
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-ethyl-N,N,3-trimethylbenzamide
SMILESCCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C12H17NO/c1-5-10-6-7-11(8-9(10)2)12(14)13(3)4/h6-8H,5H2,1-4H3
InChIKeyJQJKCJJUVMRLLB-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
CID 70933125
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
4-hydrazinyl-N,N,3-trimethylbenzamide
CID 63211691
4-ethynyl-N,N,3-trimethylbenzamide
CID 154827540
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
4-ethyl-N-methoxy-3-methylbenzamide
CID 145366952

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N,3-trimethylbenzamide?
The IUPAC name of 4-ethyl-N,N,3-trimethylbenzamide (CID 150723672) is 4-ethyl-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-ethyl-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-ethyl-N,N,3-trimethylbenzamide is CCc1ccc(C(=O)N(C)C)cc1C.
What is the InChIKey of 4-ethyl-N,N,3-trimethylbenzamide?
The InChIKey is JQJKCJJUVMRLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-10-6-7-11(8-9(10)2)12(14)13(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 4-ethyl-N,N,3-trimethylbenzamide?
4-ethyl-N,N,3-trimethylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N,3-trimethylbenzamide is sourced from PubChem (CID 150723672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).