4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide

C16H27NO3 — CID 54246756

IUPAC4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide
SMILESCC(C)C(O)C=CC=CC=CC(O)CCC(=O)N(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)15(19)10-8-6-5-7-9-14(18)11-12-16(20)17(3)4/h5-10,13-15,18-19H,11-12H2,1-4H3
InChIKeyQTUNJWYJGVAZNQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.90
Rot. Bonds8

About 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide

4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide (PubChem CID 54246756) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide.

Molecular Properties

Compound Name4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide
PubChem CID54246756
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide
SMILESCC(C)C(O)C=CC=CC=CC(O)CCC(=O)N(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)15(19)10-8-6-5-7-9-14(18)11-12-16(20)17(3)4/h5-10,13-15,18-19H,11-12H2,1-4H3
InChIKeyQTUNJWYJGVAZNQ-UHFFFAOYSA-N
XLogP1.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide?
The IUPAC name of 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide (CID 54246756) is 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide.
What is the SMILES notation for 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide?
The canonical SMILES for 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide is CC(C)C(O)C=CC=CC=CC(O)CCC(=O)N(C)C.
What is the InChIKey of 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide?
The InChIKey is QTUNJWYJGVAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)15(19)10-8-6-5-7-9-14(18)11-12-16(20)17(3)4/h5-10,13-15,18-19H,11-12H2,1-4H3.
What are the key properties of 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide?
4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide has a molecular weight of 281.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide is sourced from PubChem (CID 54246756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).