5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide

C15H20N2O2 — CID 166626987

IUPAC5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide
SMILESCCCCC#Cc1ccc(NCCO)c(C(N)=O)c1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-14(17-9-10-18)13(11-12)15(16)19/h7-8,11,17-18H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyGKGGBKQMSJMIEI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds6

About 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide

5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide (PubChem CID 166626987) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound Name5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide
PubChem CID166626987
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide
SMILESCCCCC#Cc1ccc(NCCO)c(C(N)=O)c1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-14(17-9-10-18)13(11-12)15(16)19/h7-8,11,17-18H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyGKGGBKQMSJMIEI-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide?
The IUPAC name of 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide (CID 166626987) is 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide?
The canonical SMILES for 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide is CCCCC#Cc1ccc(NCCO)c(C(N)=O)c1.
What is the InChIKey of 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide?
The InChIKey is GKGGBKQMSJMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-14(17-9-10-18)13(11-12)15(16)19/h7-8,11,17-18H,2-4,9-10H2,1H3,(H2,16,19).
What are the key properties of 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide?
5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-2-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 166626987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).