2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide

C17H19NO3 — CID 102202311

IUPAC2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide
SMILESC#CC#CCCC(O)C(O)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-2-3-4-8-11-15(19)16(20)17(21)18-13-12-14-9-6-5-7-10-14/h1,5-7,9-10,15-16,19-20H,8,11-13H2,(H,18,21)
InChIKeyVIEOJBIPZBRAGV-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.48
Rot. Bonds7

About 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide

2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide (PubChem CID 102202311) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide
PubChem CID102202311
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide
SMILESC#CC#CCCC(O)C(O)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-2-3-4-8-11-15(19)16(20)17(21)18-13-12-14-9-6-5-7-10-14/h1,5-7,9-10,15-16,19-20H,8,11-13H2,(H,18,21)
InChIKeyVIEOJBIPZBRAGV-UHFFFAOYSA-N
XLogP0.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide?
The IUPAC name of 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide (CID 102202311) is 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide is C#CC#CCCC(O)C(O)C(=O)NCCc1ccccc1.
What is the InChIKey of 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide?
The InChIKey is VIEOJBIPZBRAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-4-8-11-15(19)16(20)17(21)18-13-12-14-9-6-5-7-10-14/h1,5-7,9-10,15-16,19-20H,8,11-13H2,(H,18,21).
What are the key properties of 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide?
2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide has a molecular weight of 285.34 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide is sourced from PubChem (CID 102202311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).