6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide

C30H60N2O2 — CID 169317754

IUPAC6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide
SMILESCCCCCCCCC(CCCCCCCC)CNC(=O)CCCCCN(CCO)C1CCC1
InChIInChI=1S/C30H60N2O2/c1-3-5-7-9-11-14-19-28(20-15-12-10-8-6-4-2)27-31-30(34)23-16-13-17-24-32(25-26-33)29-21-18-22-29/h28-29,33H,3-27H2,1-2H3,(H,31,34)
InChIKeyAZNBEGMVTWBIFX-UHFFFAOYSA-N
MW480.82 g/mol
LogP7.63
Rot. Bonds25

About 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide

6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide (PubChem CID 169317754) has the molecular formula C30H60N2O2 and a molecular weight of 480.82 g/mol. Its IUPAC name is 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide.

Molecular Properties

Compound Name6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide
PubChem CID169317754
Molecular FormulaC30H60N2O2
Molecular Weight480.82 g/mol
Exact Mass480.47
IUPAC Name6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide
SMILESCCCCCCCCC(CCCCCCCC)CNC(=O)CCCCCN(CCO)C1CCC1
InChIInChI=1S/C30H60N2O2/c1-3-5-7-9-11-14-19-28(20-15-12-10-8-6-4-2)27-31-30(34)23-16-13-17-24-32(25-26-33)29-21-18-22-29/h28-29,33H,3-27H2,1-2H3,(H,31,34)
InChIKeyAZNBEGMVTWBIFX-UHFFFAOYSA-N
XLogP7.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[cycloheptyl(2-hydroxyethyl)amino]ethyl-[6-(2-hexyldecylamino)-6-oxohexyl]amino]-N-(2-hexyldecyl)hexanamide
CID 164773663
methyl 6-[2-[cyclobutyl(2-hydroxyethyl)amino]ethyl-[6-(2-octyldecylamino)-6-oxohexyl]amino]hexanoate
CID 167171967
[6-[4-[cyclohexyl-[6-(2-hexyldecylamino)-6-oxohexyl]amino]butyl-(2-hydroxyethyl)amino]-2-(octanoyloxymethyl)hexyl] octanoate
CID 170367496
6-[2-[cyclobutyl(ethyl)amino]ethyl-[6-(2-hexyldecylamino)-6-oxohexyl]amino]-N-(2-hexyldecyl)hexanamide
CID 170198532
[6-[cyclooctyl-[2-[[5-(2-hexyldecylamino)-5-oxopentyl]-(2-hydroxyethyl)amino]ethyl]amino]-2-(octanoyloxymethyl)hexyl] octanoate
CID 170367621
2-hexyldecyl 6-[cyclopentyl(2-hydroxyethyl)amino]hexanoate
CID 169317504
3-[3-[2-[cyclobutyl(2-hydroxyethyl)amino]ethyl-methylamino]-2-[3-(2-octyldecylamino)-3-oxopropoxy]propoxy]-N-(2-octyldecyl)propanamide
CID 168857878
[6-[cyclooctyl-[2-[[6-(2-hexyldecylamino)-6-oxohexyl]-(2-hydroxyethyl)amino]ethyl]amino]-2-(3-hexylundecanoyloxymethyl)hexyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 169317480
[6-[cyclohexyl-[2-[[6-(2-hexyldecylamino)-6-oxohexyl]-(2-hydroxyethyl)amino]ethyl]amino]-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]hexyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 169317444
2-hexyldecyl 6-[2-[cyclopentyl(ethyl)amino]ethyl-[6-(2-hexyldecylamino)-6-oxohexyl]amino]hexanoate
CID 170198617
[6-[cyclobutyl(2-hydroxyethyl)amino]-2-(3-octylundecanoyloxymethyl)hexyl] 3-octylundecanoate
CID 168857952
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide?
The IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide (CID 169317754) is 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide.
What is the SMILES notation for 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide?
The canonical SMILES for 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide is CCCCCCCCC(CCCCCCCC)CNC(=O)CCCCCN(CCO)C1CCC1.
What is the InChIKey of 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide?
The InChIKey is AZNBEGMVTWBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O2/c1-3-5-7-9-11-14-19-28(20-15-12-10-8-6-4-2)27-31-30(34)23-16-13-17-24-32(25-26-33)29-21-18-22-29/h28-29,33H,3-27H2,1-2H3,(H,31,34).
What are the key properties of 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide?
6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide has a molecular weight of 480.82 g/mol, XLogP of 7.63, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide is sourced from PubChem (CID 169317754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).