N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide

C28H57N3O2 — CID 146463199

IUPACN'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
SMILESCCCCCCCCCCCCNC(=O)CCC(=O)NCCCCN(CCCC)CCCC
InChIInChI=1S/C28H57N3O2/c1-4-7-10-11-12-13-14-15-16-17-22-29-27(32)20-21-28(33)30-23-18-19-26-31(24-8-5-2)25-9-6-3/h4-26H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyIXESBIZBTLNDGC-UHFFFAOYSA-N
MW467.78 g/mol
LogP6.60
Rot. Bonds25

About N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide

N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide (PubChem CID 146463199) has the molecular formula C28H57N3O2 and a molecular weight of 467.78 g/mol. Its IUPAC name is N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide.

Molecular Properties

Compound NameN'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
PubChem CID146463199
Molecular FormulaC28H57N3O2
Molecular Weight467.78 g/mol
Exact Mass467.45
IUPAC NameN'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
SMILESCCCCCCCCCCCCNC(=O)CCC(=O)NCCCCN(CCCC)CCCC
InChIInChI=1S/C28H57N3O2/c1-4-7-10-11-12-13-14-15-16-17-22-29-27(32)20-21-28(33)30-23-18-19-26-31(24-8-5-2)25-9-6-3/h4-26H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyIXESBIZBTLNDGC-UHFFFAOYSA-N
XLogP6.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 56.60
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

3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide?
The IUPAC name of N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide (CID 146463199) is N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide.
What is the SMILES notation for N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide?
The canonical SMILES for N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide is CCCCCCCCCCCCNC(=O)CCC(=O)NCCCCN(CCCC)CCCC.
What is the InChIKey of N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide?
The InChIKey is IXESBIZBTLNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N3O2/c1-4-7-10-11-12-13-14-15-16-17-22-29-27(32)20-21-28(33)30-23-18-19-26-31(24-8-5-2)25-9-6-3/h4-26H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide?
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide has a molecular weight of 467.78 g/mol, XLogP of 6.60, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide is sourced from PubChem (CID 146463199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).