2,4,6-trimethyl-3-propylbenzamide

C13H19NO — CID 57035510

IUPAC2,4,6-trimethyl-3-propylbenzamide
SMILESCCCc1c(C)cc(C)c(C(N)=O)c1C
InChIInChI=1S/C13H19NO/c1-5-6-11-8(2)7-9(3)12(10(11)4)13(14)15/h7H,5-6H2,1-4H3,(H2,14,15)
InChIKeyJYLVINAPHVOHIZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds3

About 2,4,6-trimethyl-3-propylbenzamide

2,4,6-trimethyl-3-propylbenzamide (PubChem CID 57035510) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-propylbenzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-propylbenzamide
PubChem CID57035510
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,4,6-trimethyl-3-propylbenzamide
SMILESCCCc1c(C)cc(C)c(C(N)=O)c1C
InChIInChI=1S/C13H19NO/c1-5-6-11-8(2)7-9(3)12(10(11)4)13(14)15/h7H,5-6H2,1-4H3,(H2,14,15)
InChIKeyJYLVINAPHVOHIZ-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3-carboxy-2,4,6-trimethylphenyl)butyl]-2,4,6-trimethylbenzoic acid
CID 101483124
3-amino-4-methyl-2,5-dipropylbenzamide
CID 87531245
3,4-dimethyl-2-propylbenzamide
CID 154390636
4-hydroxy-2,3,6-trimethylbenzamide
CID 95423610
6-dodecyl-3,4-diethyl-2-methylbenzamide
CID 174590576
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
3-ethyl-2,5,6-trimethyl-4-(3,4,6-trimethyl-2-propylbenzoyl)oxybenzoic acid
CID 177152584
ethyl 2-(2-carbamoyl-4-ethyl-3,5-dimethylphenyl)sulfanylacetate
CID 176776937
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
4-carbamoyl-3-(ethylamino)-2,5-dimethylbenzoic acid;hydrochloride
CID 87386659
1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 143873260
3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
CID 142306659

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-propylbenzamide?
The IUPAC name of 2,4,6-trimethyl-3-propylbenzamide (CID 57035510) is 2,4,6-trimethyl-3-propylbenzamide.
What is the SMILES notation for 2,4,6-trimethyl-3-propylbenzamide?
The canonical SMILES for 2,4,6-trimethyl-3-propylbenzamide is CCCc1c(C)cc(C)c(C(N)=O)c1C.
What is the InChIKey of 2,4,6-trimethyl-3-propylbenzamide?
The InChIKey is JYLVINAPHVOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-6-11-8(2)7-9(3)12(10(11)4)13(14)15/h7H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 2,4,6-trimethyl-3-propylbenzamide?
2,4,6-trimethyl-3-propylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-propylbenzamide is sourced from PubChem (CID 57035510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).