N-(3-aminocyclohexyl)-N-octanoyloctanamide

C22H42N2O2 — CID 142723114

IUPACN-(3-aminocyclohexyl)-N-octanoyloctanamide
SMILESCCCCCCCC(=O)N(C(=O)CCCCCCC)C1CCCC(N)C1
InChIInChI=1S/C22H42N2O2/c1-3-5-7-9-11-16-21(25)24(20-15-13-14-19(23)18-20)22(26)17-12-10-8-6-4-2/h19-20H,3-18,23H2,1-2H3
InChIKeyLLTFBDHEUYPWOD-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.33
Rot. Bonds13

About N-(3-aminocyclohexyl)-N-octanoyloctanamide

N-(3-aminocyclohexyl)-N-octanoyloctanamide (PubChem CID 142723114) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-N-octanoyloctanamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-N-octanoyloctanamide
PubChem CID142723114
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC NameN-(3-aminocyclohexyl)-N-octanoyloctanamide
SMILESCCCCCCCC(=O)N(C(=O)CCCCCCC)C1CCCC(N)C1
InChIInChI=1S/C22H42N2O2/c1-3-5-7-9-11-16-21(25)24(20-15-13-14-19(23)18-20)22(26)17-12-10-8-6-4-2/h19-20H,3-18,23H2,1-2H3
InChIKeyLLTFBDHEUYPWOD-UHFFFAOYSA-N
XLogP5.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.33
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)-6-oxo-N-(6-oxoheptanoyl)heptanamide
CID 142723110
N-(2-aminocyclohexyl)-N-decanoyldecanamide
CID 142723137
N-(4-aminocyclohexyl)-N-methyloctanamide
CID 79121707
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
1-(2-aminocyclopentyl)octan-1-one
CID 116580099

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-N-octanoyloctanamide?
The IUPAC name of N-(3-aminocyclohexyl)-N-octanoyloctanamide (CID 142723114) is N-(3-aminocyclohexyl)-N-octanoyloctanamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-N-octanoyloctanamide?
The canonical SMILES for N-(3-aminocyclohexyl)-N-octanoyloctanamide is CCCCCCCC(=O)N(C(=O)CCCCCCC)C1CCCC(N)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-N-octanoyloctanamide?
The InChIKey is LLTFBDHEUYPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-3-5-7-9-11-16-21(25)24(20-15-13-14-19(23)18-20)22(26)17-12-10-8-6-4-2/h19-20H,3-18,23H2,1-2H3.
What are the key properties of N-(3-aminocyclohexyl)-N-octanoyloctanamide?
N-(3-aminocyclohexyl)-N-octanoyloctanamide has a molecular weight of 366.59 g/mol, XLogP of 5.33, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-N-octanoyloctanamide is sourced from PubChem (CID 142723114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).