2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide

C15H19NO — CID 78971123

IUPAC2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cccc(C)c1C
InChIInChI=1S/C15H19NO/c1-5-10-16(11-6-2)15(17)14-9-7-8-12(3)13(14)4/h1,7-9H,6,10-11H2,2-4H3
InChIKeyJBHCWPJFKYXPTJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.79
Rot. Bonds4

About 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide

2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide (PubChem CID 78971123) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
PubChem CID78971123
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cccc(C)c1C
InChIInChI=1S/C15H19NO/c1-5-10-16(11-6-2)15(17)14-9-7-8-12(3)13(14)4/h1,7-9H,6,10-11H2,2-4H3
InChIKeyJBHCWPJFKYXPTJ-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
6-bromo-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889845
3-amino-5-bromo-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 114011377

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide (CID 78971123) is 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide is C#CCN(CCC)C(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide?
The InChIKey is JBHCWPJFKYXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-10-16(11-6-2)15(17)14-9-7-8-12(3)13(14)4/h1,7-9H,6,10-11H2,2-4H3.
What are the key properties of 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide?
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide has a molecular weight of 229.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 78971123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).