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

C14H17NO — CID 103714373

IUPAC2,6-dimethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H17NO/c1-4-5-6-10-15-14(16)13-11(2)8-7-9-12(13)3/h1,7-9H,5-6,10H2,2-3H3,(H,15,16)
InChIKeyUJIFNOBAJQEJCZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds4

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

2,6-dimethyl-N-pent-4-ynylbenzamide (PubChem CID 103714373) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-pent-4-ynylbenzamide
PubChem CID103714373
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2,6-dimethyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1c(C)cccc1C
InChIInChI=1S/C14H17NO/c1-4-5-6-10-15-14(16)13-11(2)8-7-9-12(13)3/h1,7-9H,5-6,10H2,2-3H3,(H,15,16)
InChIKeyUJIFNOBAJQEJCZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
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-pent-4-ynylbenzamide
CID 103867023
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
N-pent-4-ynyl-3-sulfanylbenzamide
CID 106222521
3-amino-2-hydroxy-N-pent-4-ynylbenzamide
CID 106219804
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-pent-4-ynylbenzamide?
The IUPAC name of 2,6-dimethyl-N-pent-4-ynylbenzamide (CID 103714373) is 2,6-dimethyl-N-pent-4-ynylbenzamide.
What is the SMILES notation for 2,6-dimethyl-N-pent-4-ynylbenzamide?
The canonical SMILES for 2,6-dimethyl-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1c(C)cccc1C.
What is the InChIKey of 2,6-dimethyl-N-pent-4-ynylbenzamide?
The InChIKey is UJIFNOBAJQEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-5-6-10-15-14(16)13-11(2)8-7-9-12(13)3/h1,7-9H,5-6,10H2,2-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-N-pent-4-ynylbenzamide?
2,6-dimethyl-N-pent-4-ynylbenzamide has a molecular weight of 215.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-pent-4-ynylbenzamide is sourced from PubChem (CID 103714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).