10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide

C20H35NO3 — CID 123661700

IUPAC10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide
SMILESCCC=CC(=CC=CCO)OCCCCCCCCCC(=O)NC
InChIInChI=1S/C20H35NO3/c1-3-4-14-19(15-11-12-17-22)24-18-13-9-7-5-6-8-10-16-20(23)21-2/h4,11-12,14-15,22H,3,5-10,13,16-18H2,1-2H3,(H,21,23)
InChIKeyKLKBEQAIMRNDGB-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.27
Rot. Bonds15

About 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide

10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide (PubChem CID 123661700) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide.

Molecular Properties

Compound Name10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide
PubChem CID123661700
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide
SMILESCCC=CC(=CC=CCO)OCCCCCCCCCC(=O)NC
InChIInChI=1S/C20H35NO3/c1-3-4-14-19(15-11-12-17-22)24-18-13-9-7-5-6-8-10-16-20(23)21-2/h4,11-12,14-15,22H,3,5-10,13,16-18H2,1-2H3,(H,21,23)
InChIKeyKLKBEQAIMRNDGB-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
CID 142164581
ethane;7-methoxy-N-methylheptanamide
CID 142389980
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-methyl-11-(methylamino)undecanamide
CID 59809097
CID 59445332
CID 59445332
ethane;N-methyltetradecanamide
CID 153349961
nonyl 8-[[4-(methylamino)-4-oxobutyl]-octylamino]octanoate
CID 166798426
3-[4-(methylamino)-4-oxobutanoyl]oxypropyl tetradecanoate
CID 166116621
[(9Z,11Z)-tetradeca-9,11-dienyl] (11Z,13Z)-hexadeca-11,13-dienoate
CID 175816594

Frequently Asked Questions

What is the IUPAC name of 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide?
The IUPAC name of 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide (CID 123661700) is 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide.
What is the SMILES notation for 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide?
The canonical SMILES for 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide is CCC=CC(=CC=CCO)OCCCCCCCCCC(=O)NC.
What is the InChIKey of 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide?
The InChIKey is KLKBEQAIMRNDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-3-4-14-19(15-11-12-17-22)24-18-13-9-7-5-6-8-10-16-20(23)21-2/h4,11-12,14-15,22H,3,5-10,13,16-18H2,1-2H3,(H,21,23).
What are the key properties of 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide?
10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide has a molecular weight of 337.50 g/mol, XLogP of 4.27, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide is sourced from PubChem (CID 123661700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).