2-dodecyl-N,N-dihexylbutanediamide

C28H56N2O2 — CID 139888194

IUPAC2-dodecyl-N,N-dihexylbutanediamide
SMILESCCCCCCCCCCCCC(CC(N)=O)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C28H56N2O2/c1-4-7-10-13-14-15-16-17-18-19-22-26(25-27(29)31)28(32)30(23-20-11-8-5-2)24-21-12-9-6-3/h26H,4-25H2,1-3H3,(H2,29,31)
InChIKeySARJGLZNKFYMOQ-UHFFFAOYSA-N
MW452.77 g/mol
LogP7.78
Rot. Bonds24

About 2-dodecyl-N,N-dihexylbutanediamide

2-dodecyl-N,N-dihexylbutanediamide (PubChem CID 139888194) has the molecular formula C28H56N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is 2-dodecyl-N,N-dihexylbutanediamide.

Molecular Properties

Compound Name2-dodecyl-N,N-dihexylbutanediamide
PubChem CID139888194
Molecular FormulaC28H56N2O2
Molecular Weight452.77 g/mol
Exact Mass452.43
IUPAC Name2-dodecyl-N,N-dihexylbutanediamide
SMILESCCCCCCCCCCCCC(CC(N)=O)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C28H56N2O2/c1-4-7-10-13-14-15-16-17-18-19-22-26(25-27(29)31)28(32)30(23-20-11-8-5-2)24-21-12-9-6-3/h26H,4-25H2,1-3H3,(H2,29,31)
InChIKeySARJGLZNKFYMOQ-UHFFFAOYSA-N
XLogP7.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 105621
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Isooctadecanamide, N-(2-((2-aminoethyl)amino)ethyl)-
CID 109516
Isooctadecanamide, N,N'-1,2-ethanediylbis-
CID 113006
N-(2-ethylhexyl)octadecanamide
CID 151289703
Octanamide, N,N-bis(2-ethylhexyl)-
CID 533137
2-(2-cyclopentylethyl)-N-ethyldecanamide
CID 156013734
N-methyl-N-[3-[3-[3-[4-[3-[3-[3-[methyl(8-methylnonanoyl)amino]propylamino]propylamino]propylamino]butylamino]propylamino]propylamino]propyl]decanamide
CID 171348979
N-[3-[3-[3-[4-[3-[3-[3-[decanoyl(methyl)amino]propylamino]propylamino]propylamino]butylamino]propylamino]propylamino]propyl]-N,9-dimethyldecanamide
CID 171357539
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 97046606
Eth 1644
CID 133502

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N,N-dihexylbutanediamide?
The IUPAC name of 2-dodecyl-N,N-dihexylbutanediamide (CID 139888194) is 2-dodecyl-N,N-dihexylbutanediamide.
What is the SMILES notation for 2-dodecyl-N,N-dihexylbutanediamide?
The canonical SMILES for 2-dodecyl-N,N-dihexylbutanediamide is CCCCCCCCCCCCC(CC(N)=O)C(=O)N(CCCCCC)CCCCCC.
What is the InChIKey of 2-dodecyl-N,N-dihexylbutanediamide?
The InChIKey is SARJGLZNKFYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O2/c1-4-7-10-13-14-15-16-17-18-19-22-26(25-27(29)31)28(32)30(23-20-11-8-5-2)24-21-12-9-6-3/h26H,4-25H2,1-3H3,(H2,29,31).
What are the key properties of 2-dodecyl-N,N-dihexylbutanediamide?
2-dodecyl-N,N-dihexylbutanediamide has a molecular weight of 452.77 g/mol, XLogP of 7.78, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N,N-dihexylbutanediamide is sourced from PubChem (CID 139888194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).