2,4,6-trimethyl-N-pent-4-ynylbenzamide

C15H19NO — CID 103867023

IUPAC2,4,6-trimethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H19NO/c1-5-6-7-8-16-15(17)14-12(3)9-11(2)10-13(14)4/h1,9-10H,6-8H2,2-4H3,(H,16,17)
InChIKeyRKKCOMCOHYROSH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.76
Rot. Bonds4

About 2,4,6-trimethyl-N-pent-4-ynylbenzamide

2,4,6-trimethyl-N-pent-4-ynylbenzamide (PubChem CID 103867023) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-pent-4-ynylbenzamide
PubChem CID103867023
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,4,6-trimethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H19NO/c1-5-6-7-8-16-15(17)14-12(3)9-11(2)10-13(14)4/h1,9-10H,6-8H2,2-4H3,(H,16,17)
InChIKeyRKKCOMCOHYROSH-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
CID 61128957
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-pent-4-ynylbenzamide?
The IUPAC name of 2,4,6-trimethyl-N-pent-4-ynylbenzamide (CID 103867023) is 2,4,6-trimethyl-N-pent-4-ynylbenzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-pent-4-ynylbenzamide?
The canonical SMILES for 2,4,6-trimethyl-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-pent-4-ynylbenzamide?
The InChIKey is RKKCOMCOHYROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-6-7-8-16-15(17)14-12(3)9-11(2)10-13(14)4/h1,9-10H,6-8H2,2-4H3,(H,16,17).
What are the key properties of 2,4,6-trimethyl-N-pent-4-ynylbenzamide?
2,4,6-trimethyl-N-pent-4-ynylbenzamide has a molecular weight of 229.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-pent-4-ynylbenzamide is sourced from PubChem (CID 103867023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).