2,3,5-trimethyl-N-propylbenzamide

C13H19NO — CID 66873398

IUPAC2,3,5-trimethyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(C)cc(C)c1C
InChIInChI=1S/C13H19NO/c1-5-6-14-13(15)12-8-9(2)7-10(3)11(12)4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyZQWIFPOOUWGGEZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds3

About 2,3,5-trimethyl-N-propylbenzamide

2,3,5-trimethyl-N-propylbenzamide (PubChem CID 66873398) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-propylbenzamide.

Molecular Properties

Compound Name2,3,5-trimethyl-N-propylbenzamide
PubChem CID66873398
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,3,5-trimethyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(C)cc(C)c1C
InChIInChI=1S/C13H19NO/c1-5-6-14-13(15)12-8-9(2)7-10(3)11(12)4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyZQWIFPOOUWGGEZ-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
CID 156721380
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042965

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-propylbenzamide?
The IUPAC name of 2,3,5-trimethyl-N-propylbenzamide (CID 66873398) is 2,3,5-trimethyl-N-propylbenzamide.
What is the SMILES notation for 2,3,5-trimethyl-N-propylbenzamide?
The canonical SMILES for 2,3,5-trimethyl-N-propylbenzamide is CCCNC(=O)c1cc(C)cc(C)c1C.
What is the InChIKey of 2,3,5-trimethyl-N-propylbenzamide?
The InChIKey is ZQWIFPOOUWGGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-6-14-13(15)12-8-9(2)7-10(3)11(12)4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,3,5-trimethyl-N-propylbenzamide?
2,3,5-trimethyl-N-propylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-propylbenzamide is sourced from PubChem (CID 66873398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).