11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide

C29H55NO — CID 175975616

IUPAC11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
SMILESCCCCCCCCCCCCCC12CC(CCCCCCCCCCC(N)=O)(C1)C2
InChIInChI=1S/C29H55NO/c1-2-3-4-5-6-7-8-10-13-16-19-22-28-24-29(25-28,26-28)23-20-17-14-11-9-12-15-18-21-27(30)31/h2-26H2,1H3,(H2,30,31)
InChIKeyOVTNGITXNSJPIT-UHFFFAOYSA-N
MW433.77 g/mol
LogP9.24
Rot. Bonds23

About 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide

11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide (PubChem CID 175975616) has the molecular formula C29H55NO and a molecular weight of 433.77 g/mol. Its IUPAC name is 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide.

Molecular Properties

Compound Name11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
PubChem CID175975616
Molecular FormulaC29H55NO
Molecular Weight433.77 g/mol
Exact Mass433.43
IUPAC Name11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
SMILESCCCCCCCCCCCCCC12CC(CCCCCCCCCCC(N)=O)(C1)C2
InChIInChI=1S/C29H55NO/c1-2-3-4-5-6-7-8-10-13-16-19-22-28-24-29(25-28,26-28)23-20-17-14-11-9-12-15-18-21-27(30)31/h2-26H2,1H3,(H2,30,31)
InChIKeyOVTNGITXNSJPIT-UHFFFAOYSA-N
XLogP9.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
CID 175975620
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
acetamide;decanamide;dihydrochloride
CID 141131942

Frequently Asked Questions

What is the IUPAC name of 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide?
The IUPAC name of 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide (CID 175975616) is 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide.
What is the SMILES notation for 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide?
The canonical SMILES for 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide is CCCCCCCCCCCCCC12CC(CCCCCCCCCCC(N)=O)(C1)C2.
What is the InChIKey of 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide?
The InChIKey is OVTNGITXNSJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO/c1-2-3-4-5-6-7-8-10-13-16-19-22-28-24-29(25-28,26-28)23-20-17-14-11-9-12-15-18-21-27(30)31/h2-26H2,1H3,(H2,30,31).
What are the key properties of 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide?
11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide has a molecular weight of 433.77 g/mol, XLogP of 9.24, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide is sourced from PubChem (CID 175975616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).