N-(2-aminocyclohexyl)-N-decanoyldecanamide

C26H50N2O2 — CID 142723137

IUPACN-(2-aminocyclohexyl)-N-decanoyldecanamide
SMILESCCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)C1CCCCC1N
InChIInChI=1S/C26H50N2O2/c1-3-5-7-9-11-13-15-21-25(29)28(24-20-18-17-19-23(24)27)26(30)22-16-14-12-10-8-6-4-2/h23-24H,3-22,27H2,1-2H3
InChIKeyVCHCQEPPCCCVCX-UHFFFAOYSA-N
MW422.70 g/mol
LogP6.89
Rot. Bonds17

About N-(2-aminocyclohexyl)-N-decanoyldecanamide

N-(2-aminocyclohexyl)-N-decanoyldecanamide (PubChem CID 142723137) has the molecular formula C26H50N2O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-decanoyldecanamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-decanoyldecanamide
PubChem CID142723137
Molecular FormulaC26H50N2O2
Molecular Weight422.70 g/mol
Exact Mass422.39
IUPAC NameN-(2-aminocyclohexyl)-N-decanoyldecanamide
SMILESCCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)C1CCCCC1N
InChIInChI=1S/C26H50N2O2/c1-3-5-7-9-11-13-15-21-25(29)28(24-20-18-17-19-23(24)27)26(30)22-16-14-12-10-8-6-4-2/h23-24H,3-22,27H2,1-2H3
InChIKeyVCHCQEPPCCCVCX-UHFFFAOYSA-N
XLogP6.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminocyclohexyl)-N-octanoyloctanamide
CID 142723114
N,N-bis(2-methylcyclohexyl)hexadecanamide
CID 175123374
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102639944
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide
CID 114753235
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175019392
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-decanoyldecanamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-decanoyldecanamide (CID 142723137) is N-(2-aminocyclohexyl)-N-decanoyldecanamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-decanoyldecanamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-decanoyldecanamide is CCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N-decanoyldecanamide?
The InChIKey is VCHCQEPPCCCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O2/c1-3-5-7-9-11-13-15-21-25(29)28(24-20-18-17-19-23(24)27)26(30)22-16-14-12-10-8-6-4-2/h23-24H,3-22,27H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N-decanoyldecanamide?
N-(2-aminocyclohexyl)-N-decanoyldecanamide has a molecular weight of 422.70 g/mol, XLogP of 6.89, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-decanoyldecanamide is sourced from PubChem (CID 142723137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).