N-[2-(dodecanoylamino)cyclohexyl]dodecanamide

C30H58N2O2 — CID 10299379

IUPACN-[2-(dodecanoylamino)cyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCCC1NC(=O)CCCCCCCCCCC
InChIInChI=1S/C30H58N2O2/c1-3-5-7-9-11-13-15-17-19-25-29(33)31-27-23-21-22-24-28(27)32-30(34)26-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyOVJPMUAOGFRUHW-UHFFFAOYSA-N
MW478.81 g/mol
LogP8.37
Rot. Bonds22

About N-[2-(dodecanoylamino)cyclohexyl]dodecanamide

N-[2-(dodecanoylamino)cyclohexyl]dodecanamide (PubChem CID 10299379) has the molecular formula C30H58N2O2 and a molecular weight of 478.81 g/mol. Its IUPAC name is N-[2-(dodecanoylamino)cyclohexyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(dodecanoylamino)cyclohexyl]dodecanamide
PubChem CID10299379
Molecular FormulaC30H58N2O2
Molecular Weight478.81 g/mol
Exact Mass478.45
IUPAC NameN-[2-(dodecanoylamino)cyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCCC1NC(=O)CCCCCCCCCCC
InChIInChI=1S/C30H58N2O2/c1-3-5-7-9-11-13-15-17-19-25-29(33)31-27-23-21-22-24-28(27)32-30(34)26-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyOVJPMUAOGFRUHW-UHFFFAOYSA-N
XLogP8.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 58.37
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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Related Compounds

N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811

Frequently Asked Questions

What is the IUPAC name of N-[2-(dodecanoylamino)cyclohexyl]dodecanamide?
The IUPAC name of N-[2-(dodecanoylamino)cyclohexyl]dodecanamide (CID 10299379) is N-[2-(dodecanoylamino)cyclohexyl]dodecanamide.
What is the SMILES notation for N-[2-(dodecanoylamino)cyclohexyl]dodecanamide?
The canonical SMILES for N-[2-(dodecanoylamino)cyclohexyl]dodecanamide is CCCCCCCCCCCC(=O)NC1CCCCC1NC(=O)CCCCCCCCCCC.
What is the InChIKey of N-[2-(dodecanoylamino)cyclohexyl]dodecanamide?
The InChIKey is OVJPMUAOGFRUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N2O2/c1-3-5-7-9-11-13-15-17-19-25-29(33)31-27-23-21-22-24-28(27)32-30(34)26-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-(dodecanoylamino)cyclohexyl]dodecanamide?
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide has a molecular weight of 478.81 g/mol, XLogP of 8.37, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dodecanoylamino)cyclohexyl]dodecanamide is sourced from PubChem (CID 10299379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).