12-[4-(dodecanoylamino)cyclohexyl]dodecanamide

C30H58N2O2 — CID 67362036

IUPAC12-[4-(dodecanoylamino)cyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCC(CCCCCCCCCCCC(N)=O)CC1
InChIInChI=1S/C30H58N2O2/c1-2-3-4-5-6-8-13-16-19-22-30(34)32-28-25-23-27(24-26-28)20-17-14-11-9-7-10-12-15-18-21-29(31)33/h27-28H,2-26H2,1H3,(H2,31,33)(H,32,34)
InChIKeyTUAOLMFGSBIPGC-UHFFFAOYSA-N
MW478.81 g/mol
LogP8.36
Rot. Bonds23

About 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide

12-[4-(dodecanoylamino)cyclohexyl]dodecanamide (PubChem CID 67362036) has the molecular formula C30H58N2O2 and a molecular weight of 478.81 g/mol. Its IUPAC name is 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide.

Molecular Properties

Compound Name12-[4-(dodecanoylamino)cyclohexyl]dodecanamide
PubChem CID67362036
Molecular FormulaC30H58N2O2
Molecular Weight478.81 g/mol
Exact Mass478.45
IUPAC Name12-[4-(dodecanoylamino)cyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCC(CCCCCCCCCCCC(N)=O)CC1
InChIInChI=1S/C30H58N2O2/c1-2-3-4-5-6-8-13-16-19-22-30(34)32-28-25-23-27(24-26-28)20-17-14-11-9-7-10-12-15-18-21-29(31)33/h27-28H,2-26H2,1H3,(H2,31,33)(H,32,34)
InChIKeyTUAOLMFGSBIPGC-UHFFFAOYSA-N
XLogP8.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide?
The IUPAC name of 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide (CID 67362036) is 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide.
What is the SMILES notation for 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide?
The canonical SMILES for 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide is CCCCCCCCCCCC(=O)NC1CCC(CCCCCCCCCCCC(N)=O)CC1.
What is the InChIKey of 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide?
The InChIKey is TUAOLMFGSBIPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N2O2/c1-2-3-4-5-6-8-13-16-19-22-30(34)32-28-25-23-27(24-26-28)20-17-14-11-9-7-10-12-15-18-21-29(31)33/h27-28H,2-26H2,1H3,(H2,31,33)(H,32,34).
What are the key properties of 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide?
12-[4-(dodecanoylamino)cyclohexyl]dodecanamide has a molecular weight of 478.81 g/mol, XLogP of 8.36, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(dodecanoylamino)cyclohexyl]dodecanamide is sourced from PubChem (CID 67362036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).