2,6-dimethyl-N-prop-2-ynylbenzamide

C12H13NO — CID 103767922

IUPAC2,6-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C12H13NO/c1-4-8-13-12(14)11-9(2)6-5-7-10(11)3/h1,5-7H,8H2,2-3H3,(H,13,14)
InChIKeyVOSRIGOEEXSKJM-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.67
Rot. Bonds2

About 2,6-dimethyl-N-prop-2-ynylbenzamide

2,6-dimethyl-N-prop-2-ynylbenzamide (PubChem CID 103767922) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,6-dimethyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-prop-2-ynylbenzamide
PubChem CID103767922
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,6-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C12H13NO/c1-4-8-13-12(14)11-9(2)6-5-7-10(11)3/h1,5-7H,8H2,2-3H3,(H,13,14)
InChIKeyVOSRIGOEEXSKJM-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
CID 103769141
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
2,3,4,5,6-pentafluoro-N-prop-2-ynylbenzamide
CID 60697788
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 130595323
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2,6-dimethyl-N-prop-2-ynylbenzamide (CID 103767922) is 2,6-dimethyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2,6-dimethyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2,6-dimethyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1c(C)cccc1C.
What is the InChIKey of 2,6-dimethyl-N-prop-2-ynylbenzamide?
The InChIKey is VOSRIGOEEXSKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-4-8-13-12(14)11-9(2)6-5-7-10(11)3/h1,5-7H,8H2,2-3H3,(H,13,14).
What are the key properties of 2,6-dimethyl-N-prop-2-ynylbenzamide?
2,6-dimethyl-N-prop-2-ynylbenzamide has a molecular weight of 187.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 103767922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).